Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000616

Phytochemical name: (Z)-beta-Ocimene

Synonymous chemical names:
beta-cis-ocimene, (z )- β -ocimene, cis-ocimenea, β-z-ocimene, (z)-beta-ocimene/cis-beta-ocimene, cis-p-ocimene, beta-Ocimene, (3Z)-, (cis-ocimene), ocimene (z-β), cis-beta-ocimene [(z)-beta-ocimene], cis-ocirnene, (z)-ß-ocimene, (z )-β-ocimene, (z)-β-ocimenone, (z)- b ocimene, cis-ocimene, (z)-beta-ocimene(cis-beta-ocimene), (z)-β-ocimen, (z)-β-ocimenol, z)-β-ocimene, cis-β–ocimine, ocimene, beta, cis, (z)-β-ocimsne, (z)β-ocimene, (z bocimene, (z)−β−ocimene, β-ocimene (z), (z)- β -ocimene, (z)-β- ocimene, ocimene, beta cis, (z)- β -ocimene (cis-ocimene), (z)-þ-ocimene, (z)-β-acimene, (z)-p-ocirnene, β-(z)ocimene, cis- β -ocimene, (z)-fbocimene, (z)-β- oclmene, (2)-β- ocimene, (z )-β -ocimene, z-β-ocymene, ocimene,cis-, cis-beta-ocimene, (z)-beta-ocimene, (z)-β-ocimene+, (z)-pocimene, (z)-β-ocimene, cis-β-ocimene, cis‐β‐ocimene, (z)-β -ocimene, z,β-ocimene, (z)-$-ocimene, (z) β-ocimene

External chemical identifiers:
CID:CID_5320250, ChEBI:CHEBI:87574, ZINC:ZINC000001531619, FDASRS:472UVP4R7T, SureChEMBL:SCHEMBL83330

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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-NTMALXAHSA-N

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

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

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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: Acyclic monoterpenoids

NP-Likeness score: 2.779

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Chemical structure download