Curan-17-oic acid, 2,16-didehydro-19,20-dihydroxy-, methyl ester, (19S)-
| Internal ID | edda20b2-6210-491a-ad33-773f91020516 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | methyl 12-hydroxy-12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate |
| SMILES (Canonical) | CC(C1(CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O)O |
| SMILES (Isomeric) | CC(C1(CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O)O |
| InChI | InChI=1S/C20H24N2O4/c1-11(23)20(25)10-22-8-7-19-12-5-3-4-6-14(12)21-17(19)16(18(24)26-2)13(20)9-15(19)22/h3-6,11,13,15,21,23,25H,7-10H2,1-2H3 |
| InChI Key | JEEKFGBFFFFEHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 0.90 |
| JEEKFGBFFFFEHQ-UHFFFAOYSA-N |
| Curan-17-oic acid, 2,16-didehydro-19,20-dihydroxy-, methyl ester, (19S)- |
| Methyl 19,20-dihydroxy-2,16-didehydrocuran-17-oate # |
| 3,5-Ethano-3H-pyrrolo[2,3-d]carbazole-6-carboxylic acid, 1,2,3a,4,5,7-hexahydro-12-hydroxy-12-(1-hydroxyethyl)-, methyl ester |
| 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 | 99.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.35% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.33% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.58% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.33% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.26% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 87.37% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.13% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.83% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.02% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.77% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.60% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.49% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.30% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.27% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.69% | 95.89% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 81.45% | 96.06% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.20% | 95.56% |
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 lanceolata |
| Alstonia yunnanensis |
| Aspidosperma eburneum |
| Rauvolfia sprucei |
| Rauvolfia sumatrana |
| PubChem | 614664 |
| LOTUS | LTS0072249 |
| wikiData | Q104252344 |