Summary

IMPPAT Phytochemical identifier: IMPHY006176

Phytochemical name: Geranyllinalool

Synonymous chemical names:
(e,e)-geranyl linalool, (e,e)-geranyl-linalool, geranyl linalool, geranyllinalol, geranyllinalool, linalool,geranyl

External chemical identifiers:
CID:5365872, ChEBI:74299, FDASRS:VV41XXJ67L, SureChEMBL:SCHEMBL249658, MolPort-004-963-578

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Chemical structure information

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

InChI:
InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

InChIKey:
IQDXAJNQKSIPGB-HQSZAHFGSA-N

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

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

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.226

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Chemical structure download