2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid

C150H175N5O35 — CID 158237283

About 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid

2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid (PubChem CID 158237283) has the molecular formula C150H175N5O35 and a molecular weight of 2608.05 g/mol. Its IUPAC name is 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid
• PubChem CID: 158237283
• Molecular Formula: C150H175N5O35
• Molecular Weight: 2608.05 g/mol
• Exact Mass: 2606.21
• IUPAC Name: 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid
• SMILES: CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2c(O)cccc2C(=O)O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2cc(C(=O)O)ccc2O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2ccc(C(=O)O)cc2O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2ccc(O)c(C(=O)O)c2)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2cccc(C(=O)O)c2O)C3=O)CC1O
• InChI: InChI=1S/5C30H35NO7/c1-17(2)8-5-9-18(3)10-7-13-30(4)25(34)15-21-24(33)14-20-22(27(21)38-30)16-31(28(20)35)26-19(29(36)37)11-6-12-23(26)32;1-17(2)8-5-9-18(3)10-7-13-30(4)25(33)15-21-24(32)14-20-22(27(21)38-30)16-31(28(20)35)23-12-6-11-19(26(23)34)29(36)37;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-25(33)14-20-22(27(21)38-30)16-31(28(20)35)23-13-19(29(36)37)10-11-24(23)32;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-24(32)14-20-22(27(21)38-30)16-31(28(20)35)23-11-10-19(29(36)37)13-25(23)33;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-25(33)14-20-23(27(21)38-30)16-31(28(20)35)19-10-11-24(32)22(13-19)29(36)37/h2*6,8,10-12,14,25,32-34H,5,7,9,13,15-16H2,1-4H3,(H,36,37);3*7,9-11,13-14,26,32-34H,5-6,8,12,15-16H2,1-4H3,(H,36,37)/b2*18-10+;3*18-9+
• InChIKey: GFCSFFWUHPRNSZ-BFFZMMMHSA-N
• XLogP: 27.42
• TPSA: 637.65 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.05
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid?

The IUPAC name of 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid (CID 158237283) is 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid.

What is the SMILES notation for 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid?

The canonical SMILES for 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid is CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2c(O)cccc2C(=O)O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2cc(C(=O)O)ccc2O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2ccc(C(=O)O)cc2O)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2ccc(O)c(C(=O)O)c2)C3=O)CC1O.CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(c2cccc(C(=O)O)c2O)C3=O)CC1O.

What is the InChIKey of 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid?

The InChIKey is GFCSFFWUHPRNSZ-BFFZMMMHSA-N. The full InChI is InChI=1S/5C30H35NO7/c1-17(2)8-5-9-18(3)10-7-13-30(4)25(34)15-21-24(33)14-20-22(27(21)38-30)16-31(28(20)35)26-19(29(36)37)11-6-12-23(26)32;1-17(2)8-5-9-18(3)10-7-13-30(4)25(33)15-21-24(32)14-20-22(27(21)38-30)16-31(28(20)35)23-12-6-11-19(26(23)34)29(36)37;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-25(33)14-20-22(27(21)38-30)16-31(28(20)35)23-13-19(29(36)37)10-11-24(23)32;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-24(32)14-20-22(27(21)38-30)16-31(28(20)35)23-11-10-19(29(36)37)13-25(23)33;1-17(2)7-5-8-18(3)9-6-12-30(4)26(34)15-21-25(33)14-20-23(27(21)38-30)16-31(28(20)35)19-10-11-24(32)22(13-19)29(36)37/h2*6,8,10-12,14,25,32-34H,5,7,9,13,15-16H2,1-4H3,(H,36,37);3*7,9-11,13-14,26,32-34H,5-6,8,12,15-16H2,1-4H3,(H,36,37)/b2*18-10+;3*18-9+.

What are the key properties of 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid?

2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid has a molecular weight of 2608.05 g/mol, XLogP of 27.42, 40 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid;3-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-hydroxybenzoic acid;4-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-hydroxybenzoic acid;5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 158237283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).