Summary

IMPPAT Phytochemical identifier: IMPHY016020

Phytochemical name: Pinane

Synonymous chemical names:
pinane

External chemical identifiers:
CID:10129, ChEMBL:CHEMBL1422299, ChEBI:35710, SureChEMBL:SCHEMBL13011, MolPort-039-138-695

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Chemical structure information

SMILES:
CC1CCC2CC1C2(C)C

InChI:
InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3

InChIKey:
XOKSLPVRUOBDEW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C4C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(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: 2.521

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Chemical structure download