2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one

C30H26O14 — CID 10555713

About 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one

2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one (PubChem CID 10555713) has the molecular formula C30H26O14 and a molecular weight of 610.52 g/mol. Its IUPAC name is 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one.

Molecular Properties

• Compound Name: 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one
• PubChem CID: 10555713
• Molecular Formula: C30H26O14
• Molecular Weight: 610.52 g/mol
• Exact Mass: 610.13
• IUPAC Name: 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one
• SMILES: COC12OC1(C13OC1(OC)C(O)c1cc4cc(C)oc(=O)c4c(O)c1C3O)C(O)c1c(cc3cc(C)oc(=O)c3c1O)C2O
• InChI: InChI=1S/C30H26O14/c1-9-5-11-7-13-17(19(31)15(11)25(37)41-9)23(35)27(29(39-3,43-27)21(13)33)28-24(36)18-14(22(34)30(28,40-4)44-28)8-12-6-10(2)42-26(38)16(12)20(18)32/h5-8,21-24,31-36H,1-4H3
• InChIKey: KPQFOMPVTKBJQE-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 225.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	610.52
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one?

The IUPAC name of 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one (CID 10555713) is 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one.

What is the SMILES notation for 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one?

The canonical SMILES for 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one is COC12OC1(C13OC1(OC)C(O)c1cc4cc(C)oc(=O)c4c(O)c1C3O)C(O)c1c(cc3cc(C)oc(=O)c3c1O)C2O.

What is the InChIKey of 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one?

The InChIKey is KPQFOMPVTKBJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O14/c1-9-5-11-7-13-17(19(31)15(11)25(37)41-9)23(35)27(29(39-3,43-27)21(13)33)28-24(36)18-14(22(34)30(28,40-4)44-28)8-12-6-10(2)42-26(38)16(12)20(18)32/h5-8,21-24,31-36H,1-4H3.

What are the key properties of 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one?

2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one has a molecular weight of 610.52 g/mol, XLogP of 1.01, 3 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,11,15-trihydroxy-12-methoxy-6-methyl-14-(2,11,15-trihydroxy-12-methoxy-6-methyl-4-oxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-4-one is sourced from PubChem (CID 10555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).