697

5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE

Created:	2004-08-17
Last modified:	2011-06-04

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1 entries where 697 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	17

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Chemical Component Summary
Name	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
Systematic Name (OpenEye OEToolkits)	5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
Formula	C₁₅ H₉ N O₃
Molecular Weight	251.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
SMILES	CACTVS	3.341	Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O
InChI	InChI	1.03	InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
InChIKey	InChI	1.03	GGEKOZPXKBYLNK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07198
Name	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
Groups	experimental
Synonyms	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen receptor beta	MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYS...	unknown
Nuclear receptor coactivator 1	MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...	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