Beticolin 3
| Internal ID | cb28d18a-3a12-47d1-ad28-a20463e82cdf |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | methyl (1R,12R,13R,17S)-4-chloro-5,7,12,20,22,25-hexahydroxy-30-(hydroxymethyl)-9,18,27-trioxo-14,29-dioxaoctacyclo[15.10.3.01,19.03,16.06,15.08,13.021,26.028,30]triaconta-3(16),4,6(15),7,19,21,23,25-octaene-13-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H23ClO14/c1-44-28(43)31-12(37)5-4-11(36)17(31)22(39)16-23(40)20(32)8-6-29-19(21(38)14-9(34)2-3-10(35)15(14)26(29)42)24(41)18(13(8)25(16)45-31)30(7-33)27(29)46-30/h2-3,12,18,27,33-35,37-40H,4-7H2,1H3/t12-,18-,27?,29+,30?,31+/m1/s1 |
| InChI Key | WYIYPNATROIODQ-KEZLSOLDSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C31H23ClO14 |
| Molecular Weight | 655.00 g/mol |
| Exact Mass | 654.0776331 g/mol |
| Topological Polar Surface Area (TPSA) | 241.00 Ų |
| XlogP | 1.60 |
| 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 | 99.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.44% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.32% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.99% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.54% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.02% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.94% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.43% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.87% | 92.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.16% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.05% | 95.56% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 84.89% | 98.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.72% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.85% | 96.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.70% | 91.03% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.59% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.38% | 91.49% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.25% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.51% | 97.50% |
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 | 139586630 |
| LOTUS | LTS0221288 |
| wikiData | Q77510725 |