Summary

IMPPAT Phytochemical identifier: IMPHY004414

Phytochemical name: 3,7-Dimethylocta-1,3,7-triene

Synonymous chemical names:
alpha ocimene, alpha-ocimene, e-α-ocimene, trans-α-ocimene

External chemical identifiers:
CID:5320249, ZINC:ZINC000002581958, FDASRS:8DBO41SLJL, SureChEMBL:SCHEMBL111818

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Chemical structure information

SMILES:
C=C/C(=C/CCC(=C)C)/C

InChI:
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+

InChIKey:
XJPBRODHZKDRCB-CSKARUKUSA-N

DeepSMILES:
C=C/C=C/CCC=C)C)))))/C

Functional groups:
C=C(C)C, C=C/C(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: 2.709

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Chemical structure download