Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010337

Phytochemical name: Grevillol

Synonymous chemical names:
grevillol, Grevillol

External chemical identifiers:
CID:CID_174862, ChEMBL:CHEMBL451044, ChEBI:CHEBI:5545, ZINC:ZINC000001531963, SureChEMBL:SCHEMBL2468227

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Chemical structure information

SMILES:
CCCCCCCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3

InChIKey:
UXOGOSLLGMYCNL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCcccO)ccc6)O

Functional groups:
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: 0.624

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Chemical structure download