Summary
IMPPAT Phytochemical identifier: IMPHY000048
Phytochemical name: Cardanol
Synonymous chemical names:cardanol
External chemical identifiers:CID:11266523, ChEMBL:CHEMBL470680, FDASRS:9H1349HESU, SureChEMBL:SCHEMBL2290369, MolPort-046-426-271
Chemical structure information
SMILES:
C=CC/C=CC/C=CCCCCCCCc1cccc(c1)OInChI:
InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-InChIKey:
JOLVYUIAMRUBRK-UTOQUPLUSA-NDeepSMILES:
C=CC/C=CC/C=CCCCCCCCcccccc6)OFunctional groups:
C/C=CC, C=CC, cO
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: 1-hydroxy-4-unsubstituted benzenoids
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Aromatic polyketides
NP Classifier Class: Catechols with side chains
NP-Likeness score: 1.38
Chemical structure download