Summary

IMPPAT Phytochemical identifier: IMPHY016429

Phytochemical name: 2-Pentenal, 4-methyl-

Synonymous chemical names:
4-methyl-pent-2-enal

External chemical identifiers:
CID:21458, SureChEMBL:SCHEMBL258950

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Chemical structure information

SMILES:
O=CC=CC(C)C

InChI:
InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3

InChIKey:
RIWPMNBTULNXOH-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCC)C

Functional groups:
CC=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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.291

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Chemical structure download