PIT

PICEATANNOL

Created:	2007-07-05
Last modified:	2021-03-13

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10 entries where PIT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

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Chemical Component Summary
Name	PICEATANNOL
Synonyms	4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Formula	C₁₄ H₁₂ O₄
Molecular Weight	244.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
SMILES	CACTVS	3.341	Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
Canonical SMILES	CACTVS	3.341	Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
InChI	InChI	1.03	InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKey	InChI	1.03	CDRPUGZCRXZLFL-OWOJBTEDSA-N

Drug Info: DrugBank

DrugBank ID	DB08399
Name	Piceatannol
Groups	experimental
Synonyms	Piceatannol 3,3',4'5-Tetrahydroxystilbene 3-hydroxyresveratol 3,5,3',4'-tetrahydroxystilbene 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol 3,3',4,5'-Tetrahydroxystilbene
Categories	Benzene Derivatives Benzylidene Compounds Tyrosine Kinase Inhibitors
CAS number	10083-24-6

Drug Targets

Name	Target Sequence	Pharmacological Action
ATP synthase subunit alpha, mitochondrial	MLSVRVAAAVVRALPRRAGLVSRNALGSSFIAARNFHASNTHLQKTGTAE...	unknown
ATP synthase subunit beta, mitochondrial	MLGFVGRVAAAPASGALRRLTPSASLPPAQLLLRAAPTAVHPVRDYAAQT...	unknown
ATP synthase subunit gamma, mitochondrial	MFSRAGVAGLSAWTLQPQWIQVRNMATLKDITRRLKSIKNIQKITKSMKM...	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