Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010791

Phytochemical name: Decanoyl acetaldehyde

Synonymous chemical names:
decanoyl acetaldehyde, houttuynin, Decanoyl acetaldehyde

External chemical identifiers:
CID:CID_122640, ChEMBL:CHEMBL443876, ChEBI:CHEBI:80815, ZINC:ZINC000044307421, FDASRS:NKP6GP1IRH, SureChEMBL:SCHEMBL1144900

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)CC=O

InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h11H,2-10H2,1H3

InChIKey:
QBDCOUHKEVYWLO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)CC=O

Functional groups:
CC(C)=O, 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: 1.236

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Chemical structure download