8-[(3S)-5-methoxy-6,8,8-trimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol
| Internal ID | 3969d792-569e-4320-b9b1-7a120230fb6f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 8-[(3S)-5-methoxy-6,8,8-trimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O5/c1-15-22(29-6)20-13-16(14-30-24(20)19-10-12-26(2,3)31-23(15)19)17-7-8-21(28)18-9-11-27(4,5)32-25(17)18/h7-12,16,28H,13-14H2,1-6H3/t16-/m1/s1 |
| InChI Key | WRAGYYOBKJYWFT-MRXNPFEDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H30O5 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 8-[(3S)-5-methoxy-6,8,8-trimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8-3s-5-methoxy-688-trimethyl-34-dihydro-2h-pyrano23-fchromen-3-yl-22-dimethylchromen-5-ol.jpg "2D Structure of 8-[(3S)-5-methoxy-6,8,8-trimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol")
| 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 | 98.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.41% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.45% | 93.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.55% | 89.05% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.53% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.86% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.64% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.37% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.76% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.26% | 91.19% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.11% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.06% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.81% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.75% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 86.33% |
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.
| Desmodium incanum |
| PubChem | 16098014 |
| LOTUS | LTS0199602 |
| wikiData | Q105311116 |