(1R,2R,4R,9R,10S,13S,16S)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
| Internal ID | 953c80a9-5bf6-4e90-84bf-3966cf650b49 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,2R,4R,9R,10S,13S,16S)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1C[C@H]([C@]34[C@H]2CC[C@H]([C@@H]3O)C(=C)C4=O)O)(C)C |
| InChI | InChI=1S/C20H30O3/c1-11-12-6-7-13-19(4)9-5-8-18(2,3)14(19)10-15(21)20(13,16(11)22)17(12)23/h12-15,17,21,23H,1,5-10H2,2-4H3/t12-,13-,14+,15+,17-,19-,20-/m0/s1 |
| InChI Key | VDKAWCFXCLMFBY-RGSSWUOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4R,9R,10S,13S,16S)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/18389d50-8700-11ee-90d5-296df86e45c6.jpg "2D Structure of (1R,2R,4R,9R,10S,13S,16S)-2,16-dihydroxy-5,5,9-trimethyl-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 | 97.71% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.80% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.49% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.99% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.63% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.18% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.82% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.56% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.29% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.08% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.97% | 94.75% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.95% | 99.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.63% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.48% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.39% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.48% | 90.08% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.23% | 96.43% |
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 | 162926944 |
| LOTUS | LTS0080219 |
| wikiData | Q105284216 |