Summary

IMPPAT Phytochemical identifier: IMPHY015996

Phytochemical name: (+)-alpha-Pinene

Synonymous chemical names:
(+)-α-pinene

External chemical identifiers:
CID:82227, ChEMBL:CHEMBL1236329, ChEBI:28261, ZINC:ZINC000000967579, FDASRS:H6CM4TWH1W, SureChEMBL:SCHEMBL156802, MolPort-003-928-859

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Chemical structure information

SMILES:
CC1=CC[C@@H]2C[C@H]1C2(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/t8-,9-/m1/s1

InChIKey:
GRWFGVWFFZKLTI-RKDXNWHRSA-N

DeepSMILES:
CC=CC[C@@H]C[C@H]6C4C)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