Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID004126
Phytochemical name: Pyrogallol
Synonymous chemical names:pyrogallol, Pyrogallol
External chemical identifiers:CID:CID_1057, ChEMBL:CHEMBL307145, ChEBI:CHEBI:16164, ZINC:ZINC000000330141, FDASRS:01Y4A2QXY0, SureChEMBL:SCHEMBL3532, MolPort-001-786-773
Chemical structure information
SMILES:
Oc1c(O)cccc1OInChI:
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9HInChIKey:
WQGWDDDVZFFDIG-UHFFFAOYSA-NDeepSMILES:
OccO)cccc6OFunctional groups:
cOLink to spectral information:
MSBNK-GL_Sciences_Inc-GLS00139, MSBNK-Eawag-EQ01194455, MSBNK-Eawag-EQ01194454, MSBNK-Eawag-EQ01194453, MSBNK-Eawag-EQ01194451, MSBNK-Eawag-EQ01194452
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Phenols
ClassyFire Subclass: Benzenetriols and derivatives
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP-Likeness score: 0.798
Chemical structure download
