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 data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04824
Name	Phenolphthalein
Groups	approved withdrawn
Description	Phenolphthalein was withdrawn in Canada due to concerns with carcinogenicity in 1997.
Synonyms	Phenolphtaleine Phenolphthaleinum Fenolftalein Yellow phenolphthalein Phthalin 3,3-Bis(4-hydroxyphenyl)phthalide Phenolphthalein Fenolftaleina Phthalimetten
Brand Names	Agarol Eml Strawberry Calcium Docuphen Cap Laxative Pills - Tablet Laxative Tablets Kyrobil Tab Carters Little Pills Tab Espotabs Laxative Tablets 90mg Robol Tab Laxative Tab Bilex Tab Mucinum Tab Doxidan Capsules Feen-A-mint Phenolphthalein Tab 100mg Doulax Tab Le 100 B Pilules Spark Herbalax Forte No 70 Tab Alophen Tab 60mg EX-lax Chocolated Tab 95mg Alsiline Aid-lax Tab Triolax Tab Laxatif Tab Women's Laxative Tablets Agarol Vanilla Laxative Liq Bicholate Lilas Tab Lax-BO Tab Laxarol Laxavite Tab Correctol Laxative Tab EX-lax Light Formula Lax W Stool Soften Tab Laxo-lax Tab Phillips' Gelcaps Neo Prunex Jam
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

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
UDP-glucuronosyltransferase 1A9	MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...	unknown
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
Nuclear receptor subfamily 1 group I member 3	MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFA...	unknown
Estrogen receptor	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