SAK

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one

Created:	2008-05-12
Last modified:	2020-06-05

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1 entries where SAK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	12

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Chemical Component Summary
Name	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
Synonyms	sakuranetin
Systematic Name (OpenEye OEToolkits)	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
Formula	C₁₆ H₁₄ O₅
Molecular Weight	286.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
SMILES	CACTVS	3.341	COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.5.0	COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O
Canonical SMILES	CACTVS	3.341	COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
InChI	InChI	1.03	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey	InChI	1.03	DJOJDHGQRNZXQQ-AWEZNQCLSA-N

Drug Info: DrugBank

DrugBank ID	DB08517
Name	Sakuranetin
Groups	experimental
Synonyms	Sakuranetin (S)-(−)-4',5-dihydroxy-7-methoxyflavanone 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one Naringenin 7-methyl ether (2S)-sakuranetin 4',5-dihydroxy-7-methoxyflavanone 5,4'-Dihydroxy-7-methoxyflavanone
Categories	Benzopyrans Biological Factors Chromones Heterocyclic Compounds, Fused-Ring Pyrans Toxins, Biological
CAS number	2957-21-3

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