CC6

3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one

Created: 2016-04-16
Last modified:  2016-08-17

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count12
2D diagram of CC6

Chemical Component Summary

Name3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
Systematic Name (OpenEye OEToolkits)2-(2-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one
FormulaC15 H10 O6
Molecular Weight286.236
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O
SMILESCACTVS3.385Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O
SMILESOpenEye OEToolkits2.0.4c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
Canonical SMILESCACTVS3.385 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
InChIInChI1.03 InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H
InChIKeyInChI1.03 WCNLFPKXBGWWDS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5281610
ChEMBL CHEMBL503168
ChEBI CHEBI:75107