(6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
| Internal ID | 65df8ebe-c8a2-4dae-8017-06d7a79695d5 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O4/c1-15-9-12-19-18(13-15)22-20(29-25(19,2)3)14-17(21(23(22)26)24(27)28)11-10-16-7-5-4-6-8-16/h4-8,13-14,18-19,26H,9-12H2,1-3H3,(H,27,28)/t18-,19+/m0/s1 |
| InChI Key | OWFXHGABDKORFT-RBUKOAKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7881f650-8614-11ee-b105-2fa381972d69.jpg "2D Structure of (6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid")
| 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 | 99.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.99% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.90% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.46% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.46% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.74% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.12% | 96.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.90% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.32% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.79% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.34% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.07% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.18% | 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.
| There are no matching plants. |
| PubChem | 11825345 |
| LOTUS | LTS0194894 |
| wikiData | Q105201987 |