Methyl 12-acetyl-12-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
| Internal ID | 43a96fa5-7698-4df5-9c95-6fd46e062fe6 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | methyl 12-acetyl-12-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate |
| SMILES (Canonical) | CC(=O)C1(CN2CCC34C2CC1C(=C3NC5=C4C=CC(=C5)OC)C(=O)OC)O |
| SMILES (Isomeric) | CC(=O)C1(CN2CCC34C2CC1C(=C3NC5=C4C=CC(=C5)OC)C(=O)OC)O |
| InChI | InChI=1S/C21H24N2O5/c1-11(24)21(26)10-23-7-6-20-13-5-4-12(27-2)8-15(13)22-18(20)17(19(25)28-3)14(21)9-16(20)23/h4-5,8,14,16,22,26H,6-7,9-10H2,1-3H3 |
| InChI Key | HSSBHDYKSNNBQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of Methyl 12-acetyl-12-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ee5808d0-8415-11ee-8544-39f72034c3f4.jpg "2D Structure of Methyl 12-acetyl-12-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.95% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.71% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.97% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.13% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.03% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.19% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.53% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.29% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.50% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.16% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.96% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.55% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.15% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.58% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.18% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.15% | 97.28% |
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.
| Alstonia angustifolia |
| Alstonia macrophylla |
| PubChem | 163018353 |
| LOTUS | LTS0124947 |
| wikiData | Q105033218 |