12-Methoxy-vellosimine
| Internal ID | b052c0d3-cb73-4d7f-8626-c3922b3971da |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | (1S,12S,13R,14S,15E)-15-ethylidene-5-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carbaldehyde |
| SMILES (Canonical) | CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=CC=C5OC)C=O |
| SMILES (Isomeric) | C/C=C\1/CN2[C@H]3C[C@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=CC=C5OC)C=O |
| InChI | InChI=1S/C20H22N2O2/c1-3-11-9-22-16-8-14-12-5-4-6-18(24-2)20(12)21-19(14)17(22)7-13(11)15(16)10-23/h3-6,10,13,15-17,21H,7-9H2,1-2H3/b11-3-/t13-,15-,16+,17+/m1/s1 |
| InChI Key | ZWYPHHJZHMMOCK-ISSFHZIBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 | 98.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.80% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.07% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.29% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.17% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.91% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.47% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.80% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.15% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.39% | 99.23% |
| CHEMBL2047 | Q96RI1 | Bile acid receptor FXR | 84.66% | 96.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.22% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.93% | 92.98% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.86% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.81% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.45% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.72% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.63% | 93.31% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.14% | 98.59% |
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.
| Rauvolfia bahiensis |
| PubChem | 163184343 |
| LOTUS | LTS0110871 |
| wikiData | Q105385326 |