Summary

IMPPAT Phytochemical identifier: IMPHY015697

Phytochemical name: Geranyl valerate

Synonymous chemical names:
geranyl valerate

External chemical identifiers:
CID:5365850, ZINC:ZINC000002569299, FDASRS:317HUA93QY, SureChEMBL:SCHEMBL309723

---

Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+

InChIKey:
CVSWGLSBJFKWMW-SDNWHVSQSA-N

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

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

---

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

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.734

---

Chemical structure download