Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008645

Phytochemical name: Methyl 3,7-dimethylocta-3,6-dienoate

Synonymous chemical names:
methyl 3,7-dimethylocta-3,6-dienoate

External chemical identifiers:
CID:CID_572867

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Chemical structure information

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

InChI:
InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6-7H,5,8H2,1-4H3

InChIKey:
RSFREVOQDWDJHM-UHFFFAOYSA-N

DeepSMILES:
COC=O)CC=CCC=CC)C)))))C

Functional groups:
COC(C)=O, 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: 1.941

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Chemical structure download