(4aR,6aR,12aR,12bS)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione
| Internal ID | e394ef9c-5609-4ff8-85f9-9351783d2b4d |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (4aR,6aR,12aR,12bS)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O4/c1-13-7-6-8-17-21(13,3)10-9-20(2)12-14-18(24)16(25-5)11-15(23)19(14)26-22(17,20)4/h11,17H,1,6-10,12H2,2-5H3/t17-,20+,21-,22+/m0/s1 |
| InChI Key | FDSDIYQHKYXSBM-KVJIRVJXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H28O4 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (4aR,6aR,12aR,12bS)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8916a990-8596-11ee-92a2-b7477a835e15.jpg "2D Structure of (4aR,6aR,12aR,12bS)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.98% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.34% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.23% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.23% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.24% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.01% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.82% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.38% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.05% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.63% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.55% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.29% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.90% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.83% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.82% | 96.43% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.63% | 98.00% |
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 | 22297865 |
| LOTUS | LTS0165412 |
| wikiData | Q104993748 |