Summary

IMPPAT Phytochemical identifier: IMPHY017626

Phytochemical name: (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate

Synonymous chemical names:
(e)-3-hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate

External chemical identifiers:
CID:6429162

---

Chemical structure information

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

InChI:
InChI=1S/C20H34O3/c1-8-17(6)19(21)23-18(13-15(3)4)14-16(5)11-10-12-20(7,22)9-2/h9,11,13,17-18,22H,2,8,10,12,14H2,1,3-7H3/b16-11+

InChIKey:
GPAYZXDFRBRXPA-LFIBNONCSA-N

DeepSMILES:
CCCC=O)OCC=CC)C)))C/C=C/CCCC=C))O)C)))))/C))))))C

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.773

---

Chemical structure download