(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one

C207H192F6N2O33 — CID 176545087

About (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one

(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one (PubChem CID 176545087) has the molecular formula C207H192F6N2O33 and a molecular weight of 3349.78 g/mol. Its IUPAC name is (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one.

Molecular Properties

• Compound Name: (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one
• PubChem CID: 176545087
• Molecular Formula: C207H192F6N2O33
• Molecular Weight: 3349.78 g/mol
• Exact Mass: 3347.33
• IUPAC Name: (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one
• SMILES: C/C(C(=O)/C=C/c1ccc(O)c(CO)c1)=C(O)\C=C\c1ccc(O)c(C)c1.COc1cc(/C=C/C(=O)/C=C/c2ccc(C)c(CO)c2)ccc1C.COc1ccc(C)c(/C=C/C(=O)/C=C/c2cc(OC)ccc2OC)c1.COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1C.Cc1cc(/C=C/C(O)=C(\Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O.Cc1ccc(/C=C/C(=O)C=C(O)/C=C/c2ccc(CO)c(O)c2)cc1O.Cc1ccc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(CO)c(CO)c2)cc1C.O=C(/C=C/c1ccccc1)/C=C/c1cccnc1.O=C(/C=C/c1ccccc1)/C=C/c1ccncc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C=O
• InChI: InChI=1S/C28H26O5.C23H24O4.C22H22O5.C21H20O5.C21H22O4.C21H22O3.C19H12F6O.C19H18O2.2C16H13NO.CO2/c1-19-15-21(7-11-25(19)30)9-13-27(32)24(17-20-5-3-2-4-6-20)28(33)14-10-22-8-12-26(31)23(16-22)18-29;1-16-3-4-18(11-17(16)2)6-9-22(26)13-23(27)10-7-19-5-8-20(14-24)21(12-19)15-25;1-14-11-16(3-7-19(14)24)4-8-20(25)15(2)21(26)9-5-17-6-10-22(27)18(12-17)13-23;1-14-2-3-15(10-20(14)25)5-8-18(23)12-19(24)9-6-16-4-7-17(13-22)21(26)11-16;1-15-5-10-19(23-2)13-16(15)6-8-18(22)9-7-17-14-20(24-3)11-12-21(17)25-4;1-15-4-6-17(12-19(15)14-22)8-10-20(23)11-9-18-7-5-16(2)21(13-18)24-3;20-18(21,22)16-7-3-1-5-13(16)9-11-15(26)12-10-14-6-2-4-8-17(14)19(23,24)25;1-15-7-3-4-8-16(15)11-13-18(20)14-12-17-9-5-6-10-19(17)21-2;18-16(10-8-14-5-2-1-3-6-14)11-9-15-7-4-12-17-13-15;18-16(8-6-14-4-2-1-3-5-14)9-7-15-10-12-17-13-11-15;2-1-3/h2-16,29-32H,17-18H2,1H3;3-13,24-26H,14-15H2,1-2H3;3-12,23-25,27H,13H2,1-2H3;2-12,22,24-26H,13H2,1H3;5-14H,1-4H3;4-13,22H,14H2,1-3H3;1-12H;3-14H,1-2H3;2*1-13H;/b13-9+,14-10+,27-24-;9-6+,10-7+,22-13-;8-4+,9-5+,20-15-;8-5+,9-6+,19-12?;8-6+,9-7+;10-8+,11-9+;11-9+,12-10+;13-11+,14-12+;10-8+,11-9+;8-6+,9-7+
• InChIKey: PAILAWMDFIEZAY-NNAYFLEYSA-N
• XLogP: 41.84
• TPSA: 600.45 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 35
• Rotatable Bonds: 57
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3349.78
LogP ≤ 5	41.84
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one?

The IUPAC name of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one (CID 176545087) is (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one.

What is the SMILES notation for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one?

The canonical SMILES for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one is C/C(C(=O)/C=C/c1ccc(O)c(CO)c1)=C(O)\C=C\c1ccc(O)c(C)c1.COc1cc(/C=C/C(=O)/C=C/c2ccc(C)c(CO)c2)ccc1C.COc1ccc(C)c(/C=C/C(=O)/C=C/c2cc(OC)ccc2OC)c1.COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1C.Cc1cc(/C=C/C(O)=C(\Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O.Cc1ccc(/C=C/C(=O)C=C(O)/C=C/c2ccc(CO)c(O)c2)cc1O.Cc1ccc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(CO)c(CO)c2)cc1C.O=C(/C=C/c1ccccc1)/C=C/c1cccnc1.O=C(/C=C/c1ccccc1)/C=C/c1ccncc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C=O.

What is the InChIKey of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one?

The InChIKey is PAILAWMDFIEZAY-NNAYFLEYSA-N. The full InChI is InChI=1S/C28H26O5.C23H24O4.C22H22O5.C21H20O5.C21H22O4.C21H22O3.C19H12F6O.C19H18O2.2C16H13NO.CO2/c1-19-15-21(7-11-25(19)30)9-13-27(32)24(17-20-5-3-2-4-6-20)28(33)14-10-22-8-12-26(31)23(16-22)18-29;1-16-3-4-18(11-17(16)2)6-9-22(26)13-23(27)10-7-19-5-8-20(14-24)21(12-19)15-25;1-14-11-16(3-7-19(14)24)4-8-20(25)15(2)21(26)9-5-17-6-10-22(27)18(12-17)13-23;1-14-2-3-15(10-20(14)25)5-8-18(23)12-19(24)9-6-16-4-7-17(13-22)21(26)11-16;1-15-5-10-19(23-2)13-16(15)6-8-18(22)9-7-17-14-20(24-3)11-12-21(17)25-4;1-15-4-6-17(12-19(15)14-22)8-10-20(23)11-9-18-7-5-16(2)21(13-18)24-3;20-18(21,22)16-7-3-1-5-13(16)9-11-15(26)12-10-14-6-2-4-8-17(14)19(23,24)25;1-15-7-3-4-8-16(15)11-13-18(20)14-12-17-9-5-6-10-19(17)21-2;18-16(10-8-14-5-2-1-3-6-14)11-9-15-7-4-12-17-13-15;18-16(8-6-14-4-2-1-3-5-14)9-7-15-10-12-17-13-11-15;2-1-3/h2-16,29-32H,17-18H2,1H3;3-13,24-26H,14-15H2,1-2H3;3-12,23-25,27H,13H2,1-2H3;2-12,22,24-26H,13H2,1H3;5-14H,1-4H3;4-13,22H,14H2,1-3H3;1-12H;3-14H,1-2H3;2*1-13H;/b13-9+,14-10+,27-24-;9-6+,10-7+,22-13-;8-4+,9-5+,20-15-;8-5+,9-6+,19-12?;8-6+,9-7+;10-8+,11-9+;11-9+,12-10+;13-11+,14-12+;10-8+,11-9+;8-6+,9-7+;.

What are the key properties of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one?

(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one has a molecular weight of 3349.78 g/mol, XLogP of 41.84, 57 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-1-[3,4-bis(hydroxymethyl)phenyl]-7-(3,4-dimethylphenyl)-5-hydroxyhepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(5-methoxy-2-methylphenyl)penta-1,4-dien-3-one;(1E,6E)-5-hydroxy-7-[3-hydroxy-4-(hydroxymethyl)phenyl]-1-(3-hydroxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-(2-methoxyphenyl)-5-(2-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1-phenyl-5-pyridin-4-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 176545087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).