Tubotaiwin

Details

• Internal ID: 0f42e260-a6f4-4e2f-9444-c649d2aa8c55
• Taxonomy: Alkaloids and derivatives > Strychnos alkaloids
• IUPAC Name: methyl (1S,11R,17R)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
• InChI: InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12?,13-,18-,20-/m1/s1
• InChI Key: RLAKWLFUMAABBE-UOFCVENLSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄N₂O₂
• Molecular Weight: 324.40 g/mol
• Exact Mass: 324.183778013 g/mol
• Topological Polar Surface Area (TPSA): 41.60 Ų
• XlogP: 3.10

Synonyms

• (+)-Dihydrocondylocarpine
• (+)-19,20-Dihydrocondylocarpine
• NSC 306222

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	99.20%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.20%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.61%	91.11%
CHEMBL4208	P20618	Proteasome component C5	92.84%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.10%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.45%	97.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.47%	93.03%
CHEMBL5028	O14672	ADAM10	86.04%	97.50%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.34%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.62%	95.89%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.53%	100.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.77%	92.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.24%	86.33%

Plants that contains it

• Alstonia congensis
• Kopsia hainanensis
• Strempeliopsis strempelioides
• Tabernaemontana polyneura

Cross-Links

• PubChem: 78358510
• LOTUS: LTS0119543
• wikiData: Q104394228