Details of the Drug

General Information of Drug (ID: DMVZWCI)

Drug Name

super cinnamaldehyde

Synonyms

supercinnamaldehyde; CHEMBL402589; 1-methyl-3-(2-oxopropylidene)indolin-2-one; 1,3-DIHYDRO-1-METHYL-3-(2-OXOPROPYLIDENE)-2H-INDOL-2-ONE; SCHEMBL1078803; GTPL6270; 70351-51-8; MFCD08530327; ZINC29043655; BDBM50203070; Supercinnamaldehyde, &gt

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

201.22

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H11NO2
IUPAC Name: (3E)-1-methyl-3-(2-oxopropylidene)indol-2-one
Canonical SMILES: CC(=O)/C=C/1\\C2=CC=CC=C2N(C1=O)C
InChI: InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+
InChIKey: CZKBLHCEDVWPRN-JXMROGBWSA-N

Cross-matching ID

PubChem CID: 12480411
TTD ID: D0N3CZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transformation-sensitive protein p120 (TRPA1)	TTELV3W	TRPA1_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6270).
2	Noxious compounds activate TRPA1 ion channels through covalent modification of cysteines. Nature. 2007 Feb 1;445(7127):541-5.