AGI

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Created:	2008-03-06
Last modified:	2020-06-05

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11 entries where AGI 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

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Chemical Component Summary
Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Synonyms	Apigenin
Systematic Name (OpenEye OEToolkits)	5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Formula	C₁₅ H₁₀ O₅
Molecular Weight	270.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O
SMILES	CACTVS	3.341	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChIKey	InChI	1.03	KZNIFHPLKGYRTM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07352
Name	Apigenin
Groups	experimental
Synonyms	Apigenin
Categories	Benzopyrans Chromones Flavones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	520-36-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ	MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRITELQANQKIVAYKNITF...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682