Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004483

Phytochemical name: Isopropyl tiglate

Synonymous chemical names:
isopropyl tiglate, isoprenyl tiglate

External chemical identifiers:
CID:CID_5367745, ZINC:ZINC000002566029, FDASRS:50936QM86D, SureChEMBL:SCHEMBL666918

---

Chemical structure information

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

InChI:
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+

InChIKey:
VUPBIVVRPJDWNW-FNORWQNLSA-N

DeepSMILES:
C/C=C/C=O)OCC)C))))\C

Functional groups:
C/C=C(\C)C(=O)OC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.464

---

Chemical structure download