Condensamine
Internal ID | 78f00341-8ab1-4862-862a-ec3198de606d |
Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
IUPAC Name | [(12S,13R,14S,19R,21S)-11-acetyl-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-yl] acetate |
SMILES (Canonical) | CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3OC(=O)C)C6=C1C=C(C=C6)OC |
SMILES (Isomeric) | CC(=O)N1[C@H]2[C@H]3[C@H]4C[C@H]5C2(CCN5CC4=CCO[C@H]3OC(=O)C)C6=C1C=C(C=C6)OC |
InChI | InChI=1S/C24H28N2O5/c1-13(27)26-19-10-16(29-3)4-5-18(19)24-7-8-25-12-15-6-9-30-23(31-14(2)28)21(22(24)26)17(15)11-20(24)25/h4-6,10,17,20-23H,7-9,11-12H2,1-3H3/t17-,20-,21+,22-,23-,24?/m0/s1 |
InChI Key | COYAPIDJCSAGJF-MRORPXPDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H28N2O5 |
Molecular Weight | 424.50 g/mol |
Exact Mass | 424.19982200 g/mol |
Topological Polar Surface Area (TPSA) | 68.30 Ų |
XlogP | 1.30 |
36536-63-7 |
11-Methoxyhenningsamine |
11-Methoxydiaboline acetate |
DTXSID80190039 |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
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 | 99.60% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.96% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.30% | 90.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.04% | 91.19% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.92% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.13% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.37% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.79% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.08% | 95.56% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.60% | 94.08% |
CHEMBL2581 | P07339 | Cathepsin D | 87.40% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.94% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.02% | 90.71% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.92% | 97.14% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.95% | 100.00% |
CHEMBL205 | P00918 | Carbonic anhydrase II | 82.87% | 98.44% |
CHEMBL5028 | O14672 | ADAM10 | 81.06% | 97.50% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.73% | 91.03% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.07% | 92.94% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Strychnos cocculoides |
Strychnos potatorum |
Strychnos pungens |
Strychnos staudtii |
PubChem | 181484 |
LOTUS | LTS0044566 |
wikiData | Q83062296 |