Summary

IMPPAT Phytochemical identifier: IMPHY015022

Phytochemical name: Nerolidol

Synonymous chemical names:
(e)-nerolidol, 1, 6, 10-dodecatrien 3-ol, 3,7,11 trimethyl, 1.6.10-dodecatrien-3-ol nerolidol, e-nerolidol, nerolidol, nerolidol', nerolidol*, nerolidol”, trans nerolidol, trans-nerolidol

External chemical identifiers:
CID:5284507, ChEMBL:CHEMBL25424, ChEBI:141283, FDASRS:FG5V0N8P2H, SureChEMBL:SCHEMBL114136, MolPort-002-501-626

---

Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

InChIKey:
FQTLCLSUCSAZDY-SDNWHVSQSA-N

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

Functional groups:
C/C=C(/C)C, C=CC, 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: 2.922

---

Chemical structure download