Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004131

Phytochemical name: Neryl formate

Synonymous chemical names:
neryl formate, Neryl formate

External chemical identifiers:
CID:CID_5354882, ZINC:ZINC000015120477, FDASRS:I0Z8J413XD, SureChEMBL:SCHEMBL2822047

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Chemical structure information

SMILES:
O=COC/C=C(\CCC=C(C)C)/C

InChI:
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-

InChIKey:
FQMZVFJYMPNUCT-XFFZJAGNSA-N

DeepSMILES:
O=COC/C=C\CCC=CC)C)))))/C

Functional groups:
COC=O, C/C=C(\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: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.619

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Chemical structure download