Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000114

Phytochemical name: Nerolidol

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

External chemical identifiers:
CID:CID_5284507, ChEMBL:CHEMBL25424, ChEBI:CHEBI:141283, FDASRS:FG5V0N8P2H, SureChEMBL:SCHEMBL114136, MolPort-002-501-626

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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=CC, C/C=C(/C)C, CC=C(C)C, CO

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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

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Chemical structure download