Summary

IMPPAT Phytochemical identifier: IMPHY015748

Phytochemical name: Isoamyl geranate

Synonymous chemical names:
isoamyl geranate

External chemical identifiers:
CID:6435040, ZINC:ZINC000044710087, SureChEMBL:SCHEMBL3505297

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+

InChIKey:
UYYJNVGFCCTXSK-SDNWHVSQSA-N

DeepSMILES:
CCCCOC=O)/C=C/CCC=CC)C)))))C)))))))C

Functional groups:
CC=C(C)C, COC(=O)/C=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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.683

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Chemical structure download