Summary

IMPPAT Phytochemical identifier: IMPHY014155

Phytochemical name: Trianthenol

Synonymous chemical names:
trianthenol

External chemical identifiers:
CID:10008310

---

Chemical structure information

SMILES:
OCC(C(=C)CCCC(CCCC(CCCC(C)C)C)C)C/C=C(/CCCC(CCCC(CCCC(C)C)C)C)C

InChI:
InChI=1S/C40H78O/c1-32(2)17-11-19-34(5)21-13-23-36(7)25-15-26-38(9)29-30-40(31-41)39(10)28-16-27-37(8)24-14-22-35(6)20-12-18-33(3)4/h29,32-37,40-41H,10-28,30-31H2,1-9H3/b38-29+

InChIKey:
GAIFBEYPAFEXOA-DMFHDPHMSA-N

DeepSMILES:
OCCC=C)CCCCCCCCCCCCC)C)))))C)))))C))))))C/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))C

Functional groups:
C/C=C(/C)C, C=C(C)C, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Phytane diterpenoids

NP-Likeness score: 1.111

---

Chemical structure download