(1S,14R,15R,18R)-15-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
| Internal ID | 41073d9f-eb41-4ba3-8582-ad5aa865891e |
| Taxonomy | Alkaloids and derivatives > Vobasan alkaloids |
| IUPAC Name | (1S,14R,15R,18R)-15-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26N2O3/c1-11(24)15-9-22(2)18-7-14-12-5-3-4-6-17(12)21-20(14)19(25)8-13(15)16(18)10-23/h3-6,11,13,15-16,18,21,23-24H,7-10H2,1-2H3/t11-,13-,15+,16+,18-/m0/s1 |
| InChI Key | JGQSZDXLOBDRPQ-ASKCDIFVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26N2O3 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 76.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1S,14R,15R,18R)-15-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/330187a0-863b-11ee-bce2-cd3907810972.jpg "2D Structure of (1S,14R,15R,18R)-15-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.64% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.82% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.33% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.68% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.95% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.89% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.65% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.77% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.22% | 93.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.63% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.96% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.05% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.80% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.65% | 93.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.86% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.20% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.85% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.44% | 97.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.05% | 87.45% |
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 erichsonii |
| PubChem | 163185357 |
| LOTUS | LTS0046435 |
| wikiData | Q105127631 |