FGT

3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

Created:	2018-06-30
Last modified:	2021-03-01

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2 entries where FGT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	18

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Chemical Component Summary
Name	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Synonyms	phenolphthalein
Systematic Name (OpenEye OEToolkits)	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Formula	C₂₀ H₁₄ O₄
Molecular Weight	318.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKey	InChI	1.03	KJFMBFZCATUALV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04824
Name	Phenolphthalein
Groups	approved withdrawn
Description	Phenolphthalein was withdrawn in Canada due to concerns with carcinogenicity in 1997.
Synonyms	Phenolphthaleinum 3,3-Bis(4-hydroxyphenyl)phthalide Phenolphtaleine Yellow phenolphthalein Phthalimetten Phenolphthalein Phthalin Fenolftaleina Fenolftalein
Brand Names	Bilex Tab Kyrobil Tab Laxatif Tab Laxo-lax Tab Robol Tab Laxative Tab Bicholate Lilas Tab Alophen Tab 60mg Correctol Laxative Tab Aid-lax Tab Neo Prunex Jam Phillips' Gelcaps Mucinum Tab Feen-A-mint Phenolphthalein Tab 100mg Alsiline EX-lax Light Formula Lax W Stool Soften Tab Women's Laxative Tablets Carters Little Pills Tab Herbalax Forte No 70 Tab Laxarol Agarol Vanilla Laxative Liq Doxidan Capsules Calcium Docuphen Cap Triolax Tab Agarol Eml Strawberry Pilules Spark Doulax Tab EX-lax Chocolated Tab 95mg Lax-BO Tab Laxavite Tab Le 100 B Laxative Tablets Laxative Pills - Tablet Espotabs Laxative Tablets 90mg
Indication	Used for over a century as a laxative.
Categories	Alimentary Tract and Metabolism Benzene Derivatives Compounds used in a research, industrial, or household setting Contact Laxatives Drugs for Constipation Indicators and Reagents Laboratory Chemicals Laxatives Phenolphthaleins Phenols
ATC-Code	A06AB04
CAS number	77-09-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
UDP-glucuronosyltransferase 1-9	MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...	unknown
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
Nuclear receptor subfamily 1 group I member 3	MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFA...	unknown
Estrogen receptor alpha	MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...	unknown	agonist
Sex hormone-binding globulin	MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG...	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