(8beta,13S)-13-Methyl-16-demethylkaur-15-ene-3,12-dione
| Internal ID | 04c1b30f-c6d5-4fa1-80ff-39f84470a836 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,4S,9S,10S,13S)-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione |
| SMILES (Canonical) | CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CCC1=O)C)C)C |
| SMILES (Isomeric) | C[C@@]12CCC(=O)C([C@H]1CC[C@@]34[C@H]2CC(=O)[C@@](C3)(C=C4)C)(C)C |
| InChI | InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3/t13-,14+,18-,19-,20+/m1/s1 |
| InChI Key | ZUZSPZMYVHKHKO-ALUGONPKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 3.90 |
| (8beta,13S)-13-Methyl-16-demethylkaur-15-ene-3,12-dione |
| 17-Norkaur-15-ene-3,12-dione, 13-methyl-, (8beta,13beta)- |
| 88048-00-4 |
| 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 |
|---|---|---|---|---|
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.90% | 82.69% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.57% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.41% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.85% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.20% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.02% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.95% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.13% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.70% | 90.71% |
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.
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