(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C28H18O8 — CID 125427861

IUPAC(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccccc6)coc5c43)c(=O)c2c1
InChIInChI=1S/C28H18O8/c1-33-15-7-8-21-17(9-15)26(31)19(13-34-21)16-10-23(30)36-22-11-20(29)25-27(32)18(12-35-28(25)24(16)22)14-5-3-2-4-6-14/h2-9,11-13,16,29H,10H2,1H3/t16-/m1/s1
InChIKeyLFLBGSQYZUKZMP-MRXNPFEDSA-N
MW482.44 g/mol
LogP4.72
Rot. Bonds3

About (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125427861) has the molecular formula C28H18O8 and a molecular weight of 482.44 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID125427861
Molecular FormulaC28H18O8
Molecular Weight482.44 g/mol
Exact Mass482.10
IUPAC Name(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccccc6)coc5c43)c(=O)c2c1
InChIInChI=1S/C28H18O8/c1-33-15-7-8-21-17(9-15)26(31)19(13-34-21)16-10-23(30)36-22-11-20(29)25-27(32)18(12-35-28(25)24(16)22)14-5-3-2-4-6-14/h2-9,11-13,16,29H,10H2,1H3/t16-/m1/s1
InChIKeyLFLBGSQYZUKZMP-MRXNPFEDSA-N
XLogP4.72
TPSA116.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045925
(10R)-10-(6-chloro-4-oxochromen-3-yl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125122087
(10R)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125428229
5-hydroxy-3-(4-methoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754809
5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71753973
(10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045695
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423819
(10S)-10-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045810
(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125428773

Frequently Asked Questions

What is the IUPAC name of (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125427861) is (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccccc6)coc5c43)c(=O)c2c1.
What is the InChIKey of (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is LFLBGSQYZUKZMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H18O8/c1-33-15-7-8-21-17(9-15)26(31)19(13-34-21)16-10-23(30)36-22-11-20(29)25-27(32)18(12-35-28(25)24(16)22)14-5-3-2-4-6-14/h2-9,11-13,16,29H,10H2,1H3/t16-/m1/s1.
What are the key properties of (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 482.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125427861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).