[(10R,11S)-3-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate
| Internal ID | 5500c567-8132-4a53-8e13-0262fd1b8269 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids |
| IUPAC Name | [(10R,11S)-3-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(COC2=C1C=C3C(=C2)CCC4=C3C(=CC(=C4)O)OC)C5=CC(=C(C(=C5)OC)O)OC |
| SMILES (Isomeric) | CC(=O)O[C@H]1[C@@H](COC2=C1C=C3C(=C2)CCC4=C3C(=CC(=C4)O)OC)C5=CC(=C(C(=C5)OC)O)OC |
| InChI | InChI=1S/C28H28O8/c1-14(29)36-28-20-12-19-15(5-6-16-7-18(30)11-23(32-2)26(16)19)8-22(20)35-13-21(28)17-9-24(33-3)27(31)25(10-17)34-4/h7-12,21,28,30-31H,5-6,13H2,1-4H3/t21-,28+/m0/s1 |
| InChI Key | SUGWBXVMOYXCSW-RBTNQOKQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H28O8 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(10R,11S)-3-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/fd4f1420-86f4-11ee-8db6-2376679b180e.jpg "2D Structure of [(10R,11S)-3-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate")
| 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 | 99.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.97% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.58% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.47% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.43% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.11% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.23% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.78% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.47% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.66% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.64% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.27% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.59% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.71% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.66% | 97.21% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.26% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.91% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.73% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.39% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.21% | 94.00% |
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.
| Pleione bulbocodioides |
| PubChem | 163038791 |
| LOTUS | LTS0182183 |
| wikiData | Q105260919 |