(6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
| Internal ID | acf91405-c81b-4a6c-81bb-af7e2568abc2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(OC4=C3C=CC(=C4)O)C=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)[C@@H](OC4=C3C=CC(=C4)O)C=C(C)C)O)C |
| InChI | InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-20-21(23(15)28)24(29)22-19(9-13(3)4)30-18-10-14(26)6-8-16(18)25(22)31-20/h5-6,8-11,19,26-28H,7H2,1-4H3/t19-/m0/s1 |
| InChI Key | PWHGUSAQRRPLSJ-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/37a47290-8479-11ee-b1f8-9929653165b6.jpg "2D Structure of (6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one")
| 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 | 98.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.92% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.74% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.94% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.43% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.12% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.77% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.76% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.42% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.95% | 91.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.59% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.18% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.82% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.53% | 90.93% |
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.
| Artocarpus altilis |
| Artocarpus elasticus |
| Artocarpus integer |
| Artocarpus tonkinensis |
| Maclura tinctoria |
| PubChem | 154496779 |
| LOTUS | LTS0207989 |
| wikiData | Q105215839 |