Daphnilongeranin C
| Internal ID | b5137842-cb09-46eb-987e-71eed424d9da |
| Taxonomy | Alkaloids and derivatives > Yuzurimine-type alkaloids |
| IUPAC Name | (1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29NO3/c1-11-9-23-10-13-5-3-12-4-6-14-16(20(25)26)8-22(18(12)14)19(24)15(11)7-17(23)21(13,22)2/h11,13-17H,3-10H2,1-2H3,(H,25,26)/t11-,13-,14-,15-,16-,17-,21-,22+/m1/s1 |
| InChI Key | JOODVMXQKVRURX-ROEHNZSPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO3 |
| Molecular Weight | 355.50 g/mol |
| Exact Mass | 355.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 57.60 Ų |
| XlogP | -0.40 |
| 750649-07-1 |
| (1r,2s,3r,5r,6s,10s,16r,17r)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic Acid |
| daphnilongeranins C |
| Daphnilongeranine C; De-N-oxide-calyciphylline A |
| AKOS032961626 |
| FS-9011 |
| InChI=1/C22H29NO3/c1-11-9-23-10-13-5-3-12-4-6-14-16(20(25)26)8-22(18(12)14)19(24)15(11)7-17(23)21(13,22)2/h11,13-17H,3-10H2,1-2H3,(H,25,26)/t11?,13?,14-,15?,16?,17-,21-,22+/m1/s |
| 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 | 96.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.89% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.50% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.48% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.93% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.40% | 92.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.74% | 94.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.67% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.95% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.79% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.96% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.46% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.33% | 86.33% |
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.
| Daphniphyllum himalayense |
| PubChem | 11501289 |
| LOTUS | LTS0118112 |
| wikiData | Q105132445 |