Jbir-97
| Internal ID | ea7ebf62-15e5-4c37-acc5-be88d5bd961f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | methyl (17S)-27-acetyloxy-8,13,15,20,22-pentahydroxy-29-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H28O12/c1-12-10-32-11-14-9-18-23(29(41)24-17(36)7-8-19(37)33(24,45-18)31(42)43-3)26(38)21(14)20(12)27(39)25(32)28(40)22-15(5-4-6-16(22)35)30(32)44-13(2)34/h4-6,9-10,19-20,30,35,37-38,40-41H,7-8,11H2,1-3H3/t19?,20-,30?,32?,33?/m0/s1 |
| InChI Key | XJLSYLMIJJHRIP-NWNXXEBJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H28O12 |
| Molecular Weight | 616.60 g/mol |
| Exact Mass | 616.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.78% | 91.11% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 98.69% | 98.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.49% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.93% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.87% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.80% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.39% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.06% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.95% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.53% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.22% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.80% | 91.07% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.78% | 96.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.06% | 91.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.82% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.65% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.55% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.50% | 100.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.82% | 96.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.74% | 99.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.30% | 93.04% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.06% | 91.79% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.94% | 97.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.89% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.56% | 94.73% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 80.19% | 93.33% |
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.
| There are no matching plants. |
| PubChem | 139583502 |
| LOTUS | LTS0074499 |
| wikiData | Q75063283 |