20B

2-(3-hydroxyphenyl)-4H-chromen-4-one

Created:	2012-10-19
Last modified:	2020-06-05

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1 entries where 20B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 20B

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Chemical Component Summary
Name	2-(3-hydroxyphenyl)-4H-chromen-4-one
Synonyms	3'-hydroxyflavone
Systematic Name (OpenEye OEToolkits)	2-(3-hydroxyphenyl)chromen-4-one
Formula	C₁₅ H₁₀ O₃
Molecular Weight	238.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3
SMILES	CACTVS	3.370	Oc1cccc(c1)C2=CC(=O)c3ccccc3O2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O
Canonical SMILES	CACTVS	3.370	Oc1cccc(c1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O
InChI	InChI	1.03	InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H
InChIKey	InChI	1.03	ISZWRZGKEWQACU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL147552
PubChem	229015
ChEMBL	CHEMBL147552

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.