(6S)-3,8-dihydroxy-10-methoxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
| Internal ID | bca374d3-bf2a-4df1-8d82-cc4694365666 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (6S)-3,8-dihydroxy-10-methoxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)O[C@H]3C=C(C)C)OC)C |
| InChI | InChI=1S/C26H26O6/c1-13(2)6-8-16-18(30-5)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(27)7-9-17(19)26(23)32-21/h6-7,9-12,20,27-28H,8H2,1-5H3/t20-/m0/s1 |
| InChI Key | CTAPCZWGIAZCKE-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O6 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (6S)-3,8-dihydroxy-10-methoxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6699fec0-8565-11ee-b574-0387af9da2dc.jpg "2D Structure of (6S)-3,8-dihydroxy-10-methoxy-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 | 98.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.84% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.38% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.78% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.92% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.02% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.59% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.97% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.43% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.61% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.86% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.07% | 91.49% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.69% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.79% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.95% | 97.33% |
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.
| Artocarpus altilis |
| PubChem | 154496416 |
| LOTUS | LTS0134092 |
| wikiData | Q104969674 |