Summary

IMPPAT Phytochemical identifier: IMPHY016982

Phytochemical name: (2E)-3,7-dimethylocta-2,7-dien-1-ol

Synonymous chemical names:
α-geraniol

External chemical identifiers:
CID:11252129, SureChEMBL:SCHEMBL1472220

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Chemical structure information

SMILES:
C/C(=CCO)/CCCC(=C)C

InChI:
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7,11H,1,4-6,8H2,2-3H3/b10-7+

InChIKey:
RIFSGUJLMACJMI-JXMROGBWSA-N

DeepSMILES:
C/C=CCO)))/CCCC=C)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.399

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Chemical structure download