(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O8 — CID 99995119

IUPAC(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c1OC
InChIInChI=1S/C26H20O8/c1-31-19-5-3-4-15(25(19)32-2)16-10-22(30)33-21-12-18(29)24-17(28)11-20(34-26(24)23(16)21)13-6-8-14(27)9-7-13/h3-9,11-12,16,27,29H,10H2,1-2H3/t16-/m0/s1
InChIKeyLXGYXDTUWSPDSC-INIZCTEOSA-N
MW460.44 g/mol
LogP4.33
Rot. Bonds4

About (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99995119) has the molecular formula C26H20O8 and a molecular weight of 460.44 g/mol. Its IUPAC name is (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID99995119
Molecular FormulaC26H20O8
Molecular Weight460.44 g/mol
Exact Mass460.12
IUPAC Name(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c1OC
InChIInChI=1S/C26H20O8/c1-31-19-5-3-4-15(25(19)32-2)16-10-22(30)33-21-12-18(29)24-17(28)11-20(34-26(24)23(16)21)13-6-8-14(27)9-7-13/h3-9,11-12,16,27,29H,10H2,1-2H3/t16-/m0/s1
InChIKeyLXGYXDTUWSPDSC-INIZCTEOSA-N
XLogP4.33
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985008
2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827011
(10S)-5-hydroxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424731
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637527
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637789
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99996722
2-(3,4-dihydroxyphenyl)-5-hydroxy-10-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825726
5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637265
(10S)-5-methoxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425608

Frequently Asked Questions

What is the IUPAC name of (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99995119) is (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c1OC.
What is the InChIKey of (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is LXGYXDTUWSPDSC-INIZCTEOSA-N. The full InChI is InChI=1S/C26H20O8/c1-31-19-5-3-4-15(25(19)32-2)16-10-22(30)33-21-12-18(29)24-17(28)11-20(34-26(24)23(16)21)13-6-8-14(27)9-7-13/h3-9,11-12,16,27,29H,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 460.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99995119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).