Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000122

Phytochemical name: (2Z,6E)-Farnesyl acetate

Synonymous chemical names:
(z,e)-farnesyle acetate, (2,e)-farnesyl acetate, (z,e)-farnesylacetate, Farnesyl acetate,(EZ)-, (z,e)-2,6-farnesyl acetate, (z,e)-farnesyl acetate, (2z,6e)-farnesyl acetate, (ze,6e)-famesyl acetate

External chemical identifiers:
CID:CID_1551480, ZINC:ZINC000005829138, FDASRS:24D243N5BV, SureChEMBL:SCHEMBL806690

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Chemical structure information

SMILES:
C/C(=C\CC/C(=C\COC(=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/b15-10+,16-12-

InChIKey:
ZGIGZINMAOQWLX-HDVIWIBHSA-N

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

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