2,5-Dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
| Internal ID | 8947a964-6e8f-4b41-bde0-23fa52d78492 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 2,5-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
| SMILES (Canonical) | CC12CCCC(C1CC(C34C2CCC(C3)C(=C)C4=O)O)(C)O |
| SMILES (Isomeric) | CC12CCCC(C1CC(C34C2CCC(C3)C(=C)C4=O)O)(C)O |
| InChI | InChI=1S/C19H28O3/c1-11-12-5-6-13-17(2)7-4-8-18(3,22)14(17)9-15(20)19(13,10-12)16(11)21/h12-15,20,22H,1,4-10H2,2-3H3 |
| InChI Key | DJDKYDPOZMZQLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O3 |
| Molecular Weight | 304.40 g/mol |
| Exact Mass | 304.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2,5-Dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/25-dihydroxy-59-dimethyl-14-methylidenetetracyclo11210110049hexadecan-15-one.jpg "2D Structure of 2,5-Dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.70% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.26% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.01% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.10% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.02% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.87% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.81% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.97% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.32% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.88% | 92.94% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.87% | 99.29% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.79% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.63% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.99% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.29% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.72% | 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.
| Croton kongensis |
| PubChem | 162958151 |
| LOTUS | LTS0133374 |
| wikiData | Q104982023 |