4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one

C16H10O6 — CID 135873704

IUPAC4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one
SMILESCOc1cc2oc(O)cc3c4cc(O)c(=O)cc4oc(c1)c23
InChIInChI=1S/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17,19H,1H3
InChIKeyFAVAWTOATHDWMK-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.11
Rot. Bonds1

About 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one

4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one (PubChem CID 135873704) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one.

Molecular Properties

Compound Name4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one
PubChem CID135873704
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one
SMILESCOc1cc2oc(O)cc3c4cc(O)c(=O)cc4oc(c1)c23
InChIInChI=1S/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17,19H,1H3
InChIKeyFAVAWTOATHDWMK-UHFFFAOYSA-N
XLogP3.11
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one?
The IUPAC name of 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one (CID 135873704) is 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one.
What is the SMILES notation for 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one?
The canonical SMILES for 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one is COc1cc2oc(O)cc3c4cc(O)c(=O)cc4oc(c1)c23.
What is the InChIKey of 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one?
The InChIKey is FAVAWTOATHDWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17,19H,1H3.
What are the key properties of 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one?
4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one has a molecular weight of 298.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one is sourced from PubChem (CID 135873704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).