Summary

IMPPAT Phytochemical identifier: IMPHY011048

Phytochemical name: Dihydromyrcene

Synonymous chemical names:
3,7-dimethyl-1,6-octadiene, citronellene

External chemical identifiers:
CID:17090, ChEMBL:CHEMBL2268551, FDASRS:LS5LA2BUG0, SureChEMBL:SCHEMBL21872

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Chemical structure information

SMILES:
C=CC(CCC=C(C)C)C

InChI:
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3

InChIKey:
FUDNBFMOXDUIIE-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CC)C)))))C

Functional groups:
C=CC, 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: 2.738

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Chemical structure download