(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one

C27H32O8 — CID 162856949

IUPAC(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc([C@H]2Oc3cc(O)c(CC=C(C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C27H32O8/c1-14(2)7-6-8-15(3)9-10-17-18(28)13-19-22(23(17)29)25(31)26(32)27(35-19)16-11-20(33-4)24(30)21(12-16)34-5/h7,9,11-13,26-30,32H,6,8,10H2,1-5H3/t26-,27+/m0/s1
InChIKeyGBRWZUMUFWROIE-RRPNLBNLSA-N
MW484.55 g/mol
LogP4.73
Rot. Bonds8

About (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one

(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 162856949) has the molecular formula C27H32O8 and a molecular weight of 484.55 g/mol. Its IUPAC name is (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID162856949
Molecular FormulaC27H32O8
Molecular Weight484.55 g/mol
Exact Mass484.21
IUPAC Name(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc([C@H]2Oc3cc(O)c(CC=C(C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C27H32O8/c1-14(2)7-6-8-15(3)9-10-17-18(28)13-19-22(23(17)29)25(31)26(32)27(35-19)16-11-20(33-4)24(30)21(12-16)34-5/h7,9,11-13,26-30,32H,6,8,10H2,1-5H3/t26-,27+/m0/s1
InChIKeyGBRWZUMUFWROIE-RRPNLBNLSA-N
XLogP4.73
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-6-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163189698
(2S)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163074365
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 72732612
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 14540008
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,3-dihydrochromen-4-one
CID 163189071
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2,3-dihydrochromen-4-one
CID 74326241
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,3-dihydrochromen-4-one
CID 24824764
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 73085040
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(7-hydroxy-3,7-dimethyloct-2-enyl)-2,3-dihydrochromen-4-one
CID 74326242
(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 101034223
(2R,3S)-2-(2,6-dihydroxy-4-methoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 163026378
8-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162917893

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one (CID 162856949) is (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one is COc1cc([C@H]2Oc3cc(O)c(CC=C(C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc(OC)c1O.
What is the InChIKey of (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GBRWZUMUFWROIE-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H32O8/c1-14(2)7-6-8-15(3)9-10-17-18(28)13-19-22(23(17)29)25(31)26(32)27(35-19)16-11-20(33-4)24(30)21(12-16)34-5/h7,9,11-13,26-30,32H,6,8,10H2,1-5H3/t26-,27+/m0/s1.
What are the key properties of (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
(2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 484.55 g/mol, XLogP of 4.73, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162856949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).