Summary
IMPPAT Phytochemical identifier: IMPHY016023
Phytochemical name: (+)-beta-Pinene
Synonymous chemical names:(+) β-pinene, (+)-β-pinene, pinene, beta, (+)
External chemical identifiers:CID:10290825, ChEMBL:CHEMBL2269085, ChEBI:50026, ZINC:ZINC000000967582, FDASRS:IGO73S04D5, SureChEMBL:SCHEMBL3506800, MolPort-003-939-133
Chemical structure information
SMILES:
C=C1CC[C@@H]2C[C@H]1C2(C)CInChI:
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1InChIKey:
WTARULDDTDQWMU-RKDXNWHRSA-NDeepSMILES:
C=CCC[C@@H]C[C@H]6C4C)CFunctional groups:
C=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCC2CC1C2Scaffold Graph/Node level:
CC1CCC2CC1C2Scaffold Graph level:
CC1CCC2CC1C2
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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
Chemical structure download