Ent-atiserene
| Internal ID | 012a1545-7144-4b65-b2d2-460f0cc15a70 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | (1R,4R,9R,10R,12S)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CC(CC3)C(=C)C4)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2C[C@H](CC3)C(=C)C4)(C)C |
| InChI | InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1 |
| InChI Key | LFRRHLVVLXYROS-YQXATGRUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.90 |
| 20230-48-2 |
| (-)-Atisirene |
| ent-atiser-16-ene |
| CHEBI:138219 |
| DTXSID401318620 |
| C21711 |
| (5beta,8alpha,9beta,10alpha,12alpha)-atis-16-ene |
| 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 | 98.18% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.29% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.10% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.77% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.03% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.09% | 98.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.80% | 94.75% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.89% | 95.88% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.56% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.07% | 96.09% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.35% | 99.29% |
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.
| Thymus martinezii |
| PubChem | 101297699 |
| LOTUS | LTS0216160 |
| wikiData | Q74411977 |