Summary

IMPPAT Phytochemical identifier: IMPHY017627

Phytochemical name: (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

Synonymous chemical names:
(e)-3-hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

External chemical identifiers:
CID:6429163

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Chemical structure information

SMILES:
C=CC(CC/C=C(/CC(OC(=O)C(C)C)C=C(C)C)C)(O)C

InChI:
InChI=1S/C19H32O3/c1-8-19(7,21)11-9-10-16(6)13-17(12-14(2)3)22-18(20)15(4)5/h8,10,12,15,17,21H,1,9,11,13H2,2-7H3/b16-10+

InChIKey:
FSIHKFFUYHQELZ-MHWRWJLKSA-N

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

Functional groups:
C/C=C(/C)C, C=CC, CC=C(C)C, CO, 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: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.724

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Chemical structure download