Summary

IMPPAT Phytochemical identifier: IMPHY014835

Phytochemical name: (E)-beta-ocimene

Synonymous chemical names:
(e )-β -ocimene, (e )-β-ocimene, (e bocimene, (e) -β-ocimene, (e) β-ocimene, (e) -ocimene, (e)- b ocimene, (e)- β -ocimene (trans-ocimene), (e)-b-ocimene4, (e)-beta-ocimene, (e)-beta-ocimene(trans-beta-ocimene), (e)-p-ocirnene, (e)-pocimene, (e)-ß-ocimene, (e)-þ-ocimene, (e)-β -ocimene, (e)-β- -ocimene, (e)-β- ocimene, (e)-β- ocirnene, (e)-β- ocmene, (e)-β--ocimene, (e)-β-ocimene, (e)-β-ocimene+, (e)-β-ociβ-ene, (e)-β-wimene, (e)β-ocimene, -eβ-ocimene, 41(e)-β-ocimene, beta-ocimene, e)-β-ocimene, e,β-ocimene, e-β-ocymene, ocemene, ocimene, ocimene trans-beta-, ocimene', ocimene, beta trans, ocimene, beta, trans, ocimene,(e)beta-, ocimene-beta, rruns-β-ocimene, trans- β -ocimene, trans- β-ocimene, trans-(β)-ocimene, trans-b-ocimene, trans-beta-ocimene, trans-beta-ocimene (e)-beta-ocimene), trans-beta-ocimene [(e)-beta-ocimene], trans-ocimene, trans-β -ocimene, trans-β -ocinene, trans-β- ocimene, trans-β-ocimene, trans-β-ocimine, trans-β-ocirnene, trans-β-ocmene, trans-β-pocimene, trans-- ocimene, transβ-ocimene, trans‐β‐ocimene, β-e-ocimene, β-

External chemical identifiers:
CID:5281553, ChEMBL:CHEMBL2228374, ChEBI:64280, ZINC:ZINC000001531618, FDASRS:38BQ4UYY06, SureChEMBL:SCHEMBL23589, MolPort-001-797-395

---

Chemical structure information

SMILES:
C=C/C(=C/CC=C(C)C)/C

InChI:
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-N

DeepSMILES:
C=C/C=C/CC=CC)C)))))/C

Functional groups:
C=C/C(C)=C/C, CC=C(C)C

---

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: Acyclic monoterpenoids

NP-Likeness score: 2.779

---

Chemical structure download