Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000153

Phytochemical name: alpha-Pinene

Synonymous chemical names:
alpha-pinene*, α-pinine, α-pinene, α-pinenes, apinene, 2-pinene, pinene, alpha-, (r)-(+)-α-pinene, alpha -pinene*, alpha-PINENE, α- pinene, alpha-pinene, pinene,alpha-, (+-)-alpha-Pinene, αpinene, α – pinene, α -pinene, á-pinene

External chemical identifiers:
CID:CID_6654, ChEMBL:CHEMBL442565, ChEBI:CHEBI:36740, SureChEMBL:SCHEMBL13301, MolPort-003-926-536

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Chemical structure information

SMILES:
CC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

InChIKey:
GRWFGVWFFZKLTI-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6C4C)C

Functional groups:
CC=C(C)C

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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: 2.714

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Chemical structure download