Lansiumamide B

Details

• Internal ID: 5e6bfdc4-ecfa-416a-9aa5-f9bb15f7bb0c
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives
• IUPAC Name: (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide
• SMILES (Canonical): CN(C=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2
• SMILES (Isomeric): CN(/C=C\C1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2
• InChI: InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-
• InChI Key: VJGRWRRIAJQNFU-NQDQBVNISA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.30 g/mol
• Exact Mass: 263.131014166 g/mol
• Topological Polar Surface Area (TPSA): 20.30 Ų
• XlogP: 3.80

Synonyms

• (E,E)-Lansamide I
• 121817-37-6
• (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide
• 2-Propenamide, N-methyl-3-phenyl-N-[(1Z)-2-phenylethenyl]-, (2E)-
• 77527-97-0
• n-methyl-n-styrylcinnamamide
• CHEMBL2272423
• DTXSID701183416
• AKOS040736146
• (2E)-N-Methyl-3-phenyl-N-[(1Z)-2-phenylethenyl]-2-propenamide
• (2E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.23%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.18%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.73%	96.00%
CHEMBL2581	P07339	Cathepsin D	89.02%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.09%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	83.16%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	82.76%	94.73%
CHEMBL5028	O14672	ADAM10	80.81%	97.50%

Plants that contains it

• Clausena lansium

Cross-Links

• PubChem: 11357517
• LOTUS: LTS0194395
• wikiData: Q105287243