Cintriamide

Details

• Internal ID: eacdab29-2498-44f1-bea3-10eb4cf2a57f
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
• IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• SMILES (Canonical): COC1=CC(=CC(=C1OC)OC)C=CC(=O)N
• SMILES (Isomeric): COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N
• InChI: InChI=1S/C12H15NO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H2,13,14)/b5-4+
• InChI Key: LRLKZVMLJBNNPE-SNAWJCMRSA-N
• Popularity: 14 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.25 g/mol
• Exact Mass: 237.10010796 g/mol
• Topological Polar Surface Area (TPSA): 70.80 Ų
• XlogP: 0.80

Synonyms

• Cintramide
• 5588-21-6
• Cintramidum
• Cintriamide [USAN]
• 3,4,5-Trimethoxycinnamamide
• Cintramide [INN]
• 2-Propenamide, 3-(3,4,5-trimethoxyphenyl)-
• (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• NSC-170963
• DTXSID3057775
• 731Q8KH51G
• Cintramide (INN)
• Cintriamide (USAN)
• Cintramida
• Cintramidum [INN-Latin]
• Cintramida [INN-Spanish]
• NSC 170963
• CINNAMAMIDE, 3,4,5-TRIMETHOXY-
• UNII-731Q8KH51G
• Propenamide, 3-(3,4,5-trimethoxyphenyl)-
• C. I. 36746
• 3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• CL 36746
• 3,5-Trimethoxycinnamamide
• C.L. 36746
• Cinnamamide,4,5-trimethoxy-
• SCHEMBL123179
• SCHEMBL9444357
• CHEMBL2107098
• DTXCID4031564
• HMS3264J05
• Pharmakon1600-01502553
• Propenamide,4,5-trimethoxyphenyl)-
• Tox21_113833
• NSC170963
• NSC760353
• WLN: ZV1U1R CO1 DO1 EO1
• 2-Propenamide,4,5-trimethoxyphenyl)-
• AKOS022261219
• CCG-213087
• NSC-760353
• NCGC00253714-01
• CAS-5588-21-6
• D02647
• AB01562987_01
• EN300-6488946
• SR-01000944178
• SR-01000944178-1
• Q27266124
• (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enimidic acid
• 322408-23-1

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.49%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.00%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.42%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.24%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.02%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.08%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.15%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.37%	94.45%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	81.14%	97.88%
CHEMBL1255126	O15151	Protein Mdm4	80.91%	90.20%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.86%	96.95%

Plants that contains it

• Alstonia lenormandii

Cross-Links

• PubChem: 6154037
• LOTUS: LTS0096938
• wikiData: Q27266124