Strychnofendlerine

Details

• Internal ID: 78ff2ef6-fa01-4d06-8b65-09f13d63d50d
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: 8-acetyl-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2,4,6-trien-19-one
• SMILES (Canonical): CC1C2CN(CCC34C(C(C2CC3=O)CO1)N(C5=CC=CC=C45)C(=O)C)C
• SMILES (Isomeric): CC1C2CN(CCC34C(C(C2CC3=O)CO1)N(C5=CC=CC=C45)C(=O)C)C
• InChI: InChI=1S/C22H28N2O3/c1-13-16-11-23(3)9-8-22-18-6-4-5-7-19(18)24(14(2)25)21(22)17(12-27-13)15(16)10-20(22)26/h4-7,13,15-17,21H,8-12H2,1-3H3
• InChI Key: FMZMLKGLGADCPQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₈N₂O₃
• Molecular Weight: 368.50 g/mol
• Exact Mass: 368.20999276 g/mol
• Topological Polar Surface Area (TPSA): 49.80 Ų
• XlogP: 1.40

Synonyms

• 62278-92-6
• STRYCHNOFENDLERINE
• CHEMBL1983150
• DTXSID70316302
• NSC-301744
• NCI60_002536

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
CHEMBL2581	P07339	Cathepsin D	96.35%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.95%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.28%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.26%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.80%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.14%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.53%	90.71%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	89.13%	85.11%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	89.11%	100.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	87.98%	93.65%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	86.08%	96.39%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.64%	94.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.57%	82.69%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.15%	94.42%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	83.63%	98.46%
CHEMBL217	P14416	Dopamine D2 receptor	82.82%	95.62%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.27%	99.23%
CHEMBL5028	O14672	ADAM10	80.89%	97.50%

Plants that contains it

• Strychnos diplotricha
• Strychnos fendleri
• Strychnos myrtoides
• Strychnos soubrensis

Cross-Links

• PubChem: 327292
• LOTUS: LTS0069114
• wikiData: Q82070021