(1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-one
| Internal ID | 3ea7ff93-9fc6-4818-8229-c634bbea75a5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32O6/c1-11-12-9-13(24)14-21-8-6-7-19(2,3)15(21)17(26)23(27-10-21)22(14,16(11)25)18(12)28-20(4,5)29-23/h12-15,17-18,24,26H,1,6-10H2,2-5H3/t12-,13-,14-,15+,17-,18+,21+,22-,23+/m0/s1 |
| InChI Key | SEKRXIHSDMCWCV-ZUSNALBSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H32O6 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/a4c3c150-8698-11ee-86ad-17ba7da3a7bb.jpg "2D Structure of (1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.89% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.09% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.81% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.76% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.84% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.31% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.12% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.78% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.00% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.22% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.35% | 91.19% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.29% | 95.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.74% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.37% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.27% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.22% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.54% | 97.05% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.54% | 91.03% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.54% | 99.29% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.38% | 96.77% |
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.
| Isodon rosthornii |
| PubChem | 73356654 |
| LOTUS | LTS0057222 |
| wikiData | Q105251248 |