Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010039

Phytochemical name: Isogeraniol

Synonymous chemical names:
isogeraniol

External chemical identifiers:
CID:CID_5362876, ChEBI:CHEBI:144706, SureChEMBL:SCHEMBL1300875

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Chemical structure information

SMILES:
OCC/C(=C\CC=C(C)C)/C

InChI:
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,11H,4,7-8H2,1-3H3/b10-6-

InChIKey:
DTHIOPUFUOMHAY-POHAHGRESA-N

DeepSMILES:
OCC/C=C\CC=CC)C)))))/C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.639

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Chemical structure download