(3,4,8,10-tetraacetyloxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-triacetyloxybenzoate
| Internal ID | 1df79472-245c-4d30-bbb9-ce82dbd61364 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 16-oxosteroids |
| IUPAC Name | (3,4,8,10-tetraacetyloxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-triacetyloxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H34O20/c1-13(36)47-22-9-20(10-23(48-14(2)37)27(22)50-16(4)39)34(43)46-12-25-29(51-17(5)40)32(53-19(7)42)33-31(54-25)26-21(35(44)55-33)11-24(49-15(3)38)28(45-8)30(26)52-18(6)41/h9-11,25,29,31-33H,12H2,1-8H3 |
| InChI Key | GCXAJFXFABXFNR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34O20 |
| Molecular Weight | 774.60 g/mol |
| Exact Mass | 774.16434347 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (3,4,8,10-tetraacetyloxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-triacetyloxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/3b874bb0-8550-11ee-89ce-89c95aee8848.jpg "2D Structure of (3,4,8,10-tetraacetyloxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-triacetyloxybenzoate")
| 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 | 95.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.02% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.90% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.03% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.53% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.14% | 96.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.79% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.22% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.58% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.60% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.44% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.87% | 94.42% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.37% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
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.
| Peltophorum africanum |
| PubChem | 14463118 |
| LOTUS | LTS0047501 |
| wikiData | Q105006544 |