Summary

IMPPAT Phytochemical identifier: IMPHY003401

Phytochemical name: Nopol

Synonymous chemical names:
nopol

External chemical identifiers:
CID:31408, ChEMBL:CHEMBL257332, SureChEMBL:SCHEMBL114153, MolPort-003-930-540

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Chemical structure information

SMILES:
OCCC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3

InChIKey:
ROKSAUSPJGWCSM-UHFFFAOYSA-N

DeepSMILES:
OCCC=CCCCC6C4C)C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.334

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Chemical structure download