6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

C32H26O10 — CID 162848371

About 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (PubChem CID 162848371) has the molecular formula C32H26O10 and a molecular weight of 570.55 g/mol. Its IUPAC name is 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione.

Molecular Properties

• Compound Name: 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
• PubChem CID: 162848371
• Molecular Formula: C32H26O10
• Molecular Weight: 570.55 g/mol
• Exact Mass: 570.15
• IUPAC Name: 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
• SMILES: COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)C1=C(C2=O)C(C)OC(C)C1
• InChI: InChI=1S/C32H26O10/c1-11-6-14-22(16(33)7-11)32(39)24-18(35)10-20(41-5)26(28(24)29(14)36)25-19(40-4)9-17(34)23-27(25)30(37)15-8-12(2)42-13(3)21(15)31(23)38/h6-7,9-10,12-13,33-35H,8H2,1-5H3
• InChIKey: DSPUCOYMWZTREC-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 156.66 Ų
• H-Bond Donors: 3
• 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	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione?

The IUPAC name of 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (CID 162848371) is 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione.

What is the SMILES notation for 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione?

The canonical SMILES for 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione is COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)C1=C(C2=O)C(C)OC(C)C1.

What is the InChIKey of 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione?

The InChIKey is DSPUCOYMWZTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O10/c1-11-6-14-22(16(33)7-11)32(39)24-18(35)10-20(41-5)26(28(24)29(14)36)25-19(40-4)9-17(34)23-27(25)30(37)15-8-12(2)42-13(3)21(15)31(23)38/h6-7,9-10,12-13,33-35H,8H2,1-5H3.

What are the key properties of 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione?

6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione has a molecular weight of 570.55 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione is sourced from PubChem (CID 162848371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).