3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
| Internal ID | 57ed4b25-692e-4269-a1be-7473da922ae5 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Delta-5-steroids |
| IUPAC Name | 3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-ol |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CC=C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C1C3CC=C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h10,20-22,24-25,31H,1,9,11-18H2,2-8H3 |
| InChI Key | IKLFFDNEMXEQRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O |
| Molecular Weight | 424.70 g/mol |
| Exact Mass | 424.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3004b8a0-85ce-11ee-adb7-65bb7ac545e7.jpg "2D Structure of 3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.61% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.31% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.82% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.96% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.87% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.77% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.41% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.78% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.44% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.37% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.03% | 90.17% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 81.53% | 95.42% |
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.
| Heterocoma ekmaniana |
| PubChem | 162992960 |
| LOTUS | LTS0136010 |
| wikiData | Q105114719 |