Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001466

Phytochemical name: Farnesyl acetate

Synonymous chemical names:
farnesyl acetate*, farnesyl acetate●, farnesy lacetate, farnesyl acetate, Farnesyl acetate

External chemical identifiers:
CID:CID_94403, Molport-006-125-880

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Chemical structure information

SMILES:
CC(=CCCC(=CCOC(=O)C)C)CCC=C(C)C

InChI:
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3

InChIKey:
ZGIGZINMAOQWLX-UHFFFAOYSA-N

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

Functional groups:
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

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 1.932

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Chemical structure download