Summary

IMPPAT Phytochemical identifier: IMPHY000799

Phytochemical name: Coixenolide

Synonymous chemical names:
coixenolide

External chemical identifiers:
CID:46173943, ChEBI:81189, ZINC:ZINC000056874663

---

Chemical structure information

SMILES:
CCCCCC/C=C/CCCCCCCCCC(=O)O[C@H]([C@H](OC(=O)CCCCCCC/C=CCCCCCC)C)C

InChI:
InChI=1S/C38H70O4/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38(40)42-36(4)35(3)41-37(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h15-18,35-36H,5-14,19-34H2,1-4H3/b17-15+,18-16-/t35-,36+/m1/s1

InChIKey:
DPQCZNIGGNJGTD-MVCBGFDASA-N

DeepSMILES:
CCCCCC/C=C/CCCCCCCCCC=O)O[C@H][C@H]OC=O)CCCCCCC/C=CCCCCCC)))))))))))))))))C))C

Functional groups:
C/C=C/C, C/C=CC, CC(=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: 0.526

---

Chemical structure download