3-methoxy-4-[(3S,8S)-5-methoxy-6-methyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl]benzene-1,2-diol
| Internal ID | 1393f8bc-9eaf-498d-a5c6-83ba5afc95f9 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 5-O-methylated isoflavonoids |
| IUPAC Name | 3-methoxy-4-[(3S,8S)-5-methoxy-6-methyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl]benzene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O6/c1-11(2)18-9-16-21(29-18)12(3)20(26-4)15-8-13(10-28-22(15)16)14-6-7-17(24)19(25)23(14)27-5/h6-7,13,18,24-25H,1,8-10H2,2-5H3/t13-,18+/m1/s1 |
| InChI Key | CHKBBNPTMHJTMA-ACJLOTCBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H26O6 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-4-[(3S,8S)-5-methoxy-6-methyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/0fdb4ba0-876a-11ee-a231-4d0c8a70a6b2.jpg "2D Structure of 3-methoxy-4-[(3S,8S)-5-methoxy-6-methyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl]benzene-1,2-diol")
| 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 | 98.23% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.86% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.23% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.06% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.80% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.34% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.79% | 93.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.21% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.71% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.52% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.51% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.97% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.54% | 91.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.53% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.04% | 97.09% |
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.
| Desmodium incanum |
| PubChem | 162980640 |
| LOTUS | LTS0224242 |
| wikiData | Q104958926 |