KMC

galangin

Created:	2022-05-31
Last modified:	2022-08-22

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1 entries where KMC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of KMC

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Chemical Component Summary
Name	galangin
Synonyms	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
Systematic Name (OpenEye OEToolkits)	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
Formula	C₁₅ H₁₀ O₅
Molecular Weight	270.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
InChI	InChI	1.06	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKey	InChI	1.06	VCCRNZQBSJXYJD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL309490
PubChem	5281616
ChEMBL	CHEMBL309490
ChEBI	CHEBI:5262

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.