DFV

7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE

Created:	2000-08-29
Last modified:	2021-03-01

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6 entries where DFV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	12

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Chemical Component Summary
Name	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Synonyms	5-DEOXYFLAVANONE
Systematic Name (OpenEye OEToolkits)	(2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
Formula	C₁₅ H₁₂ O₄
Molecular Weight	256.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
SMILES	CACTVS	3.341	Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O
InChI	InChI	1.03	InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey	InChI	1.03	FURUXTVZLHCCNA-AWEZNQCLSA-N

Drug Info: DrugBank

DrugBank ID	DB03601
Name	5-deoxyflavanone
Groups	experimental
Description	5-deoxyflavanone is a solid. This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
Synonyms	5-deoxyflavanone
CAS number	578-86-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Xanthine dehydrogenase/oxidase	MTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGA...	unknown	inhibitor
Aromatase	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	inhibitor

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