Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000213

Phytochemical name: Myrcene

Synonymous chemical names:
β-rnyrcene, myrcene, beta-, mrycene, myrcene+, myrcene, beta, Myrcene, rnyrcene, beta-Myrcene, inyrcene, *myrcene, myrecene, myrcene (beta-myrcene), myrcene, β- myrcene, m yrcene, myrcene*, myrcenc, β-myrcenea, ß-myrcene, beta-myrcene, β-myrcene

External chemical identifiers:
CID:CID_31253, ChEMBL:CHEMBL455491, ChEBI:CHEBI:17221, ZINC:ZINC000001530331, FDASRS:3M39CZS25B, SureChEMBL:SCHEMBL21622, MolPort-001-792-515

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Chemical structure information

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

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

InChIKey:
UAHWPYUMFXYFJY-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCC=CC)C

Functional groups:
C=CC(=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: 3.261

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Chemical structure download