Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID000541
Phytochemical name: (E)-beta-ocimene
Synonymous chemical names:ocimene trans-beta-, e-β-ocymene, ocimene, rruns-β-ocimene, (e)-beta-ocimene(trans-beta-ocimene), (e)- b ocimene, trans-β-pocimene, (e)-β--ocimene, trans-b-ocimene, ocimene-beta, (e)-β- ocirnene, (e)-pocimene, trans-ocimene, (e)-þ-ocimene, (e)-ß-ocimene, trans-beta-ocimene [(e)-beta-ocimene], ocimene, beta trans, (e)-β- ocmene, β-ocimene*, ocimene', trans-β-ocmene, (e)-β-ocimene, (e)-b-ocimene4, (e)-β-wimene, trans-β-ocimene, (e )-β-ocimene, (e)-β -ocimene, trans‐β‐ocimene, trans-β-ocimine, (e )-β -ocimene, (e)-β-ociβ-ene, transβ-ocimene, β-e-ocimene, trans-β-ocirnene, (e)-p-ocirnene, trans-β -ocimene, trans- β -ocimene, (e) β-ocimene, e)-β-ocimene, trans-(β)-ocimene, (e)β-ocimene, (e)-β- ocimene, ocimene, beta, trans, (e bocimene, β-ocimene (e), trans- β-ocimene, -eβ-ocimene, (e)-β-ocimene+, trans-- ocimene, (e) -β-ocimene, 41(e)-β-ocimene, beta-OCIMENE, (3E)-, (e)-β- -ocimene, β-ocimene, ocimene,(e)beta-, trans-beta-ocimene (e)-beta-ocimene), trans-β -ocinene, (e)- β -ocimene (trans-ocimene), e,β-ocimene, beta-ocimene, trans-β- ocimene, (e) -ocimene, trans-beta-ocimene, ocemene, (e)-beta-ocimene
External chemical identifiers:CID:CID_5281553, ChEMBL:CHEMBL2228374, ChEBI:CHEBI:64280, ZINC:ZINC000001531618, FDASRS:38BQ4UYY06, SureChEMBL:SCHEMBL23589, MolPort-001-797-395
Chemical structure information
SMILES:
C=C/C(=C/CC=C(C)C)/CInChI:
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+InChIKey:
IHPKGUQCSIINRJ-CSKARUKUSA-NDeepSMILES:
C=C/C=C/CC=CC)C)))))/CFunctional groups:
C=C/C(C)=C/C, CC=C(C)C
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: Acyclic monoterpenoids
NP-Likeness score: 2.779
Chemical structure download
