1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

C25H14O10 — CID 54683163

IUPAC1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1cc(O)cc(O)c21
InChIInChI=1S/C25H14O10/c26-9-5-12(28)18-15(7-9)34-24(31)20(22(18)30)17-11-3-1-2-4-14(11)33-23-19-13(29)6-10(27)8-16(19)35-25(32)21(17)23/h1-8,17,26-30H
InChIKeyWDWTVZCHCZWFGF-UHFFFAOYSA-N
MW474.38 g/mol
LogP3.71
Rot. Bonds1

About 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one (PubChem CID 54683163) has the molecular formula C25H14O10 and a molecular weight of 474.38 g/mol. Its IUPAC name is 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one.

Molecular Properties

Compound Name1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
PubChem CID54683163
Molecular FormulaC25H14O10
Molecular Weight474.38 g/mol
Exact Mass474.06
IUPAC Name1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1cc(O)cc(O)c21
InChIInChI=1S/C25H14O10/c26-9-5-12(28)18-15(7-9)34-24(31)20(22(18)30)17-11-3-1-2-4-14(11)33-23-19-13(29)6-10(27)8-16(19)35-25(32)21(17)23/h1-8,17,26-30H
InChIKeyWDWTVZCHCZWFGF-UHFFFAOYSA-N
XLogP3.71
TPSA170.80 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 53.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The IUPAC name of 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one (CID 54683163) is 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one.
What is the SMILES notation for 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The canonical SMILES for 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one is O=c1oc2cc(O)cc(O)c2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1cc(O)cc(O)c21.
What is the InChIKey of 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The InChIKey is WDWTVZCHCZWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14O10/c26-9-5-12(28)18-15(7-9)34-24(31)20(22(18)30)17-11-3-1-2-4-14(11)33-23-19-13(29)6-10(27)8-16(19)35-25(32)21(17)23/h1-8,17,26-30H.
What are the key properties of 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one has a molecular weight of 474.38 g/mol, XLogP of 3.71, 1 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one is sourced from PubChem (CID 54683163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).