Summary

IMPPAT Phytochemical identifier: IMPHY007253

Phytochemical name: (Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate

Synonymous chemical names:
neryl laurate

External chemical identifiers:
CID:91694952

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OC/C=C(CCC=C(C)C)/C

InChI:
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18-

InChIKey:
LNEUQAMNTXRCPI-UZYVYHOESA-N

DeepSMILES:
CCCCCCCCCCCC=O)OC/C=CCCC=CC)C)))))/C

Functional groups:
C/C=C(C)C, CC=C(C)C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.353

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Chemical structure download