Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010949

Phytochemical name: Pinol

Synonymous chemical names:
pinol

External chemical identifiers:
CID:CID_101153, ChEBI:CHEBI:171932, SureChEMBL:SCHEMBL221186

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Chemical structure information

SMILES:
CC1=CCC2CC1OC2(C)C

InChI:
InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3

InChIKey:
SKBXVAOMEVOTGJ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6OC5C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)CO2

Scaffold Graph/Node level:
C1CC2COC(C1)C2

Scaffold Graph level:
C1CC2CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.858

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Chemical structure download