Summary

IMPPAT Phytochemical identifier: IMPHY011632

Phytochemical name: Farnesol

Synonymous chemical names:
(e)(e)-farnesol, (e)-farnesol, (e, e )-farnesol, (e, e) -farnesol, (e, e)-farnesol, (e, e)-farnesolh, (e,e)-farnesol, e,e-farnesol, farnesol, farnesol , farnesol*, farnesol+, farnesol, trans-, farnesol,(ee)-, trans farnesol, trans, trans-farnesol, trans,trans-farnesol, trans-farnesol, trans-trans-farnesol

External chemical identifiers:
CID:445070, ChEMBL:CHEMBL25308, ChEBI:16619, ZINC:ZINC000001532860, FDASRS:X23PI60R17, SureChEMBL:SCHEMBL58068, MolPort-001-769-747

---

Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

InChIKey:
CRDAMVZIKSXKFV-YFVJMOTDSA-N

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

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

---

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: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.191

---

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT