Summary

IMPPAT Phytochemical identifier: IMPHY014112

Phytochemical name: 3,6-Octadienal, 3,7-dimethyl-

Synonymous chemical names:
isogeranial

External chemical identifiers:
CID:6428928, ChEBI:171914, SureChEMBL:SCHEMBL228318

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+

InChIKey:
OJLMARCQPSGYNE-UXBLZVDNSA-N

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

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

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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: 2.574

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Chemical structure download