Summary

IMPPAT Phytochemical identifier: IMPHY015860

Phytochemical name: Nerolidyl propionate

Synonymous chemical names:
nerolidyl propionate

External chemical identifiers:
CID:81573

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Chemical structure information

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

InChI:
InChI=1S/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3

InChIKey:
NPSBIIPKEQTFPA-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCC=CCCC=CC)C)))))C)))))C=C))C

Functional groups:
C=CC, 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: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.307

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Chemical structure download