7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione

C32H26O10 — CID 14355110

About 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione

7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione (PubChem CID 14355110) has the molecular formula C32H26O10 and a molecular weight of 570.55 g/mol. Its IUPAC name is 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione.

Molecular Properties

• Compound Name: 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione
• PubChem CID: 14355110
• Molecular Formula: C32H26O10
• Molecular Weight: 570.55 g/mol
• Exact Mass: 570.15
• IUPAC Name: 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione
• SMILES: COc1cc(O)c(-c2c3c(c(O)c4c(OC)cc(O)cc24)C(=O)C=C(C)C3=O)c2cc3c(c(O)c12)C(=O)CC(C)(O)C3
• InChI: InChI=1S/C32H26O10/c1-12-5-17(34)27-28(29(12)37)26(16-7-14(33)8-20(41-3)25(16)31(27)39)23-15-6-13-10-32(2,40)11-19(36)22(13)30(38)24(15)21(42-4)9-18(23)35/h5-9,33,35,38-40H,10-11H2,1-4H3
• InChIKey: DCJYEFUZKKEXHM-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 170.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_D(1)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione?

The IUPAC name of 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione (CID 14355110) is 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione.

What is the SMILES notation for 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione?

The canonical SMILES for 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione is COc1cc(O)c(-c2c3c(c(O)c4c(OC)cc(O)cc24)C(=O)C=C(C)C3=O)c2cc3c(c(O)c12)C(=O)CC(C)(O)C3.

What is the InChIKey of 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione?

The InChIKey is DCJYEFUZKKEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O10/c1-12-5-17(34)27-28(29(12)37)26(16-7-14(33)8-20(41-3)25(16)31(27)39)23-15-6-13-10-32(2,40)11-19(36)22(13)30(38)24(15)21(42-4)9-18(23)35/h5-9,33,35,38-40H,10-11H2,1-4H3.

What are the key properties of 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione?

7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione has a molecular weight of 570.55 g/mol, XLogP of 4.70, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione is sourced from PubChem (CID 14355110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).