(2R,5R,6S,9S,12S,15R,21R)-6,16-dihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one
| Internal ID | 5398dbe6-02c0-47d1-8939-f5331121ccdf |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (2R,5R,6S,9S,12S,15R,21R)-6,16-dihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O6/c1-17-4-3-11-10(15(17)24-8-13(17)21)7-12-14-18(2,16(22)26-12)20(23)6-5-19(11,14)9-25-20/h7,11-15,21,23H,3-6,8-9H2,1-2H3/t11-,12-,13+,14-,15-,17+,18-,19?,20?/m0/s1 |
| InChI Key | AWXCFXSOVHMZKV-MVQXODBISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R,5R,6S,9S,12S,15R,21R)-6,16-dihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/b0b4bfc0-8470-11ee-8124-b10f98d552d7.jpg "2D Structure of (2R,5R,6S,9S,12S,15R,21R)-6,16-dihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.76% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.24% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.71% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.77% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.10% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.67% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.48% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.33% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.77% | 97.25% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.77% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.76% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.05% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.99% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.17% | 93.03% |
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.
| Casimirella ampla |
| PubChem | 163187581 |
| LOTUS | LTS0052917 |
| wikiData | Q104920352 |