Summary

IMPPAT Phytochemical identifier: IMPHY017302

Phytochemical name: alpha-Myrcene

Synonymous chemical names:
α -myrcene, α-myrcene, α-myrecene

External chemical identifiers:
CID:519324, SureChEMBL:SCHEMBL245195

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Chemical structure information

SMILES:
C=CC(=C)CCCC(=C)C

InChI:
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5H,1-2,4,6-8H2,3H3

InChIKey:
VYBREYKSZAROCT-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCCC=C)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.016

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Chemical structure download