Summary

IMPPAT Phytochemical identifier: IMPHY005536

Phytochemical name: Bilobol

Synonymous chemical names:
bilobol

External chemical identifiers:
CID:5281852, ChEMBL:CHEMBL461628, ChEBI:3104, ZINC:ZINC000008234356, SureChEMBL:SCHEMBL164545, MolPort-005-945-917

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Chemical structure information

SMILES:
CCCCCC/C=CCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-

InChIKey:
TUGAUFMQYWZJAB-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=CCCCCCCCcccO)ccc6)O

Functional groups:
C/C=CC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Benzenediols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.024

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Chemical structure download