Summary

IMPPAT Phytochemical identifier: IMPHY011347

Phytochemical name: (E)-Sesquilavandulol

Synonymous chemical names:
(e)-sesquilavandulol, trans-sesquilavandulol

External chemical identifiers:
CID:5352145

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Chemical structure information

SMILES:
OCC(C(=C)C)C/C=C(/CCC=C(C)C)C

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

InChIKey:
JTSPVWIYQLSMER-NTEUORMPSA-N

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

Functional groups:
C/C=C(/C)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

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 3.016

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Chemical structure download