Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000631

Phytochemical name: cis-Nerolidol

Synonymous chemical names:
nerolidol, cis, nerolidol (cis), cis-Nerolidol, (z)-nerolidol, cis-nerolidol

External chemical identifiers:
CID:CID_5320128, ChEMBL:CHEMBL3185053, ChEBI:CHEBI:173119, FDASRS:81K23DEF7B, SureChEMBL:SCHEMBL7057492, MolPort-006-115-710

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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-KAMYIIQDSA-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