Summary

IMPPAT Phytochemical identifier: IMPHY006414

Phytochemical name: Geranyl tiglate

Synonymous chemical names:
geranyl tiglate, geranyl-tiglate

External chemical identifiers:
CID:5367785, ChEMBL:CHEMBL3186926, ChEBI:169735, ZINC:ZINC000002036789, FDASRS:CUP7SL28J8, SureChEMBL:SCHEMBL874195

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Chemical structure information

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

InChI:
InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+

InChIKey:
OGHBUHJLMHQMHS-KRDNBFTESA-N

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

Functional groups:
C/C=C(/C)C, 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: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 2.564

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Chemical structure download