Summary

IMPPAT Phytochemical identifier: IMPHY016427

Phytochemical name: 4-Methyl-3-pentenal

Synonymous chemical names:
4-methyl-3-pentenal

External chemical identifiers:
CID:21457, ZINC:ZINC000002037289, SureChEMBL:SCHEMBL820041

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Chemical structure information

SMILES:
O=CCC=C(C)C

InChI:
InChI=1S/C6H10O/c1-6(2)4-3-5-7/h4-5H,3H2,1-2H3

InChIKey:
PQTHXJVFTDWEEE-UHFFFAOYSA-N

DeepSMILES:
O=CCC=CC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.999

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Chemical structure download