[(3S,4R)-8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-yl] acetate
| Internal ID | 5243ff6b-dfa8-44c6-a8fc-2063c8a4d308 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | [(3S,4R)-8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(COC2=CC(=C3C(=C12)CCC4=C3C=CC(=C4)O)OC)C5=CC(=C(C=C5)O)OC |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@H](COC2=CC(=C3C(=C12)CCC4=C3C=CC(=C4)O)OC)C5=CC(=C(C=C5)O)OC |
| InChI | InChI=1S/C27H26O7/c1-14(28)34-27-20(16-5-9-21(30)22(11-16)31-2)13-33-24-12-23(32-3)25-18-8-6-17(29)10-15(18)4-7-19(25)26(24)27/h5-6,8-12,20,27,29-30H,4,7,13H2,1-3H3/t20-,27-/m1/s1 |
| InChI Key | QDTMSPUGALRFKA-NFQMXDRXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26O7 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(3S,4R)-8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/de4ad920-855b-11ee-830f-1969123547c1.jpg "2D Structure of [(3S,4R)-8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-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 | 99.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.53% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.79% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.77% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.67% | 82.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.62% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.36% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.39% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.85% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.82% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.15% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.10% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.81% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.24% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.54% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.55% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.50% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.31% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.29% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.41% | 91.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.71% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.01% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.36% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.41% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.31% | 89.62% |
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.
| Bletilla striata |
| PubChem | 162954315 |
| LOTUS | LTS0109107 |
| wikiData | Q105218968 |