(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol

C26H26O7 — CID 15834313

IUPAC(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
SMILESCOc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O
InChIInChI=1S/C26H26O7/c1-30-21-10-16(27)6-14-5-4-13-7-20-18(11-17(13)24(14)21)25(28)19(12-33-20)15-8-22(31-2)26(29)23(9-15)32-3/h6-11,19,25,27-29H,4-5,12H2,1-3H3/t19-,25+/m1/s1
InChIKeyUQRXDLDKKPPLEI-CLOONOSVSA-N
MW450.49 g/mol
LogP4.10
Rot. Bonds4

About (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol

(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol (PubChem CID 15834313) has the molecular formula C26H26O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol.

Molecular Properties

Compound Name(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
PubChem CID15834313
Molecular FormulaC26H26O7
Molecular Weight450.49 g/mol
Exact Mass450.17
IUPAC Name(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
SMILESCOc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O
InChIInChI=1S/C26H26O7/c1-30-21-10-16(27)6-14-5-4-13-7-20-18(11-17(13)24(14)21)25(28)19(12-33-20)15-8-22(31-2)26(29)23(9-15)32-3/h6-11,19,25,27-29H,4-5,12H2,1-3H3/t19-,25+/m1/s1
InChIKeyUQRXDLDKKPPLEI-CLOONOSVSA-N
XLogP4.10
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The IUPAC name of (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol (CID 15834313) is (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol.
What is the SMILES notation for (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The canonical SMILES for (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol is COc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O.
What is the InChIKey of (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The InChIKey is UQRXDLDKKPPLEI-CLOONOSVSA-N. The full InChI is InChI=1S/C26H26O7/c1-30-21-10-16(27)6-14-5-4-13-7-20-18(11-17(13)24(14)21)25(28)19(12-33-20)15-8-22(31-2)26(29)23(9-15)32-3/h6-11,19,25,27-29H,4-5,12H2,1-3H3/t19-,25+/m1/s1.
What are the key properties of (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
(10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol has a molecular weight of 450.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol is sourced from PubChem (CID 15834313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).