Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002267

Phytochemical name: (-)-beta-Pinene

Synonymous chemical names:
pinene, beta, (-), (-)-β-pinene, (−)-β-pinene, (-)-beta-Pinene

External chemical identifiers:
CID:CID_440967, ChEMBL:CHEMBL3184774, ChEBI:CHEBI:28359, ZINC:ZINC000001530385, FDASRS:4MS8VHZ1HJ, SureChEMBL:SCHEMBL1636093, MolPort-002-512-433

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Chemical structure information

SMILES:
C=C1CC[C@H]2C[C@@H]1C2(C)C

InChI:
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1

InChIKey:
WTARULDDTDQWMU-IUCAKERBSA-N

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

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC1C2

Scaffold Graph/Node level:
CC1CCC2CC1C2

Scaffold Graph level:
CC1CCC2CC1C2

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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: 2.973

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Chemical structure download