(1R,4S,9S,10R,13S)-4,5,5,9,13-pentamethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione
| Internal ID | ed6cd26e-c733-4632-bc72-9b798cb7bb05 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (1R,4S,9S,10R,13S)-4,5,5,9,13-pentamethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione |
| SMILES (Canonical) | CC1(C(=O)CCC2(C1(CCC34C2CC(=O)C(C3)(C=C4)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CCC(=O)C([C@]1(CC[C@@]34[C@H]2CC(=O)[C@@](C3)(C=C4)C)C)(C)C |
| InChI | InChI=1S/C21H30O2/c1-17(2)15(22)6-7-19(4)14-12-16(23)18(3)8-10-21(14,13-18)11-9-20(17,19)5/h8,10,14H,6-7,9,11-13H2,1-5H3/t14-,18+,19-,20+,21+/m0/s1 |
| InChI Key | POJINKAODPGLPR-VQNOPNDPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1R,4S,9S,10R,13S)-4,5,5,9,13-pentamethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r4s9s10r13s-455913-pentamethyltetracyclo11210110049hexadec-14-ene-612-dione.jpg "2D Structure of (1R,4S,9S,10R,13S)-4,5,5,9,13-pentamethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.11% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.53% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.35% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.51% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.26% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.88% | 85.11% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.77% | 88.84% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.60% | 85.30% |
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 lachnostachyus |
| PubChem | 162949651 |
| LOTUS | LTS0131886 |
| wikiData | Q104667410 |