(6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione
| Internal ID | 32fb72fd-44ce-4c36-84af-5d9826e6c5ca |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione |
| SMILES (Canonical) | CC1(C2CCC3=C4C(=C(C(=C3C2(CCC1=O)C)O)OC)CCOC4=O)C |
| SMILES (Isomeric) | C[C@]12CCC(=O)C([C@@H]1CCC3=C4C(=C(C(=C23)O)OC)CCOC4=O)(C)C |
| InChI | InChI=1S/C21H26O5/c1-20(2)13-6-5-11-15-12(8-10-26-19(15)24)18(25-4)17(23)16(11)21(13,3)9-7-14(20)22/h13,23H,5-10H2,1-4H3/t13-,21-/m0/s1 |
| InChI Key | WDAMTPQABGTUDL-ZSEKCTLFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7194c790-85e0-11ee-b15e-d78049d43330.jpg "2D Structure of (6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione")
| 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 | 98.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.01% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.40% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.40% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.79% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.75% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.47% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.41% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.98% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.13% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.47% | 94.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.15% | 95.38% |
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.
| Swartzia arborescens |
| PubChem | 15762189 |
| LOTUS | LTS0146164 |
| wikiData | Q105302210 |