8-Ethyl-3,5b,8,11a,13a-pentamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione
| Internal ID | cc9d0b85-558b-4723-81c5-f0a4269598dc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 8-ethyl-3,5b,8,11a,13a-pentamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione |
| SMILES (Canonical) | CCC1(CCCC2(C1CCC3(C2CC(=O)C4(C3CCC5=C4C(=O)OC5C)C)C)C)C |
| SMILES (Isomeric) | CCC1(CCCC2(C1CCC3(C2CC(=O)C4(C3CCC5=C4C(=O)OC5C)C)C)C)C |
| InChI | InChI=1S/C27H40O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-20H,7-15H2,1-6H3 |
| InChI Key | OTZAFYKTECUBAV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 8-Ethyl-3,5b,8,11a,13a-pentamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fd8ce740-8575-11ee-9793-8112e13f2fc3.jpg "2D Structure of 8-Ethyl-3,5b,8,11a,13a-pentamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.04% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.65% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.53% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.83% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.42% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.16% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.63% | 90.08% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.60% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.16% | 97.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.69% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.64% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.48% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.84% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.39% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.89% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.02% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 73804821 |
| LOTUS | LTS0166406 |
| wikiData | Q105199942 |