8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one

C16H16O6 — CID 170990366

IUPAC8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one
SMILESCOc1c(O)c(C)c2c3c(c(C)c(O)c(=O)c2c1O)COC3
InChIInChI=1S/C16H16O6/c1-6-8-4-22-5-9(8)10-7(2)13(18)16(21-3)15(20)11(10)14(19)12(6)17/h18,20H,4-5H2,1-3H3,(H,17,19)
InChIKeyMRXOJNGJDKJBRM-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.97
Rot. Bonds1

About 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one

8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one (PubChem CID 170990366) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one.

Molecular Properties

Compound Name8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one
PubChem CID170990366
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one
SMILESCOc1c(O)c(C)c2c3c(c(C)c(O)c(=O)c2c1O)COC3
InChIInChI=1S/C16H16O6/c1-6-8-4-22-5-9(8)10-7(2)13(18)16(21-3)15(20)11(10)14(19)12(6)17/h18,20H,4-5H2,1-3H3,(H,17,19)
InChIKeyMRXOJNGJDKJBRM-UHFFFAOYSA-N
XLogP1.97
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one?
The IUPAC name of 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one (CID 170990366) is 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one.
What is the SMILES notation for 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one?
The canonical SMILES for 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one is COc1c(O)c(C)c2c3c(c(C)c(O)c(=O)c2c1O)COC3.
What is the InChIKey of 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one?
The InChIKey is MRXOJNGJDKJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-6-8-4-22-5-9(8)10-7(2)13(18)16(21-3)15(20)11(10)14(19)12(6)17/h18,20H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one?
8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one has a molecular weight of 304.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,13-trihydroxy-12-methoxy-7,14-dimethyl-4-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),7,10,12-pentaen-9-one is sourced from PubChem (CID 170990366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).