Summary

IMPPAT Phytochemical identifier: IMPHY009761

Phytochemical name: Citronellyl tiglate

Synonymous chemical names:
citronellyl tiglate

External chemical identifiers:
CID:6386037, FDASRS:W3KE673ROS, SureChEMBL:SCHEMBL873826

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Chemical structure information

SMILES:
C/C=C(/C(=O)OCCC(CCC=C(C)C)C)C

InChI:
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+

InChIKey:
UCFQYMKLDPWFHZ-MKMNVTDBSA-N

DeepSMILES:
C/C=C/C=O)OCCCCCC=CC)C)))))C))))))C

Functional groups:
C/C=C(C)C(=O)OC, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.172

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Chemical structure download