(3S,3aS,5aR,5bS,7aR,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13-dodecahydro-1H-cyclopenta[a]chrysen-9-one
| Internal ID | cd183f42-112e-4416-8c15-71dd36dc68bd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | (3S,3aS,5aR,5bS,7aR,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13-dodecahydro-1H-cyclopenta[a]chrysen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-24H,9-18H2,1-8H3/t20-,23-,24+,27-,28-,29-,30-/m0/s1 |
| InChI Key | XAKUWRNEOJQHNR-GYFFJUCWSA-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) | 17.10 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of (3S,3aS,5aR,5bS,7aR,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13-dodecahydro-1H-cyclopenta[a]chrysen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/67b51b00-852d-11ee-81d4-7decdd78acf5.jpg "2D Structure of (3S,3aS,5aR,5bS,7aR,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13-dodecahydro-1H-cyclopenta[a]chrysen-9-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.64% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.71% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.98% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.81% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.11% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.69% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.68% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.32% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.08% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.07% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.04% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.51% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.23% | 91.11% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 84.38% | 93.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.96% | 85.11% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.10% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.11% | 97.14% |
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.
| Boehmeria excelsa |
| PubChem | 101317832 |
| LOTUS | LTS0195340 |
| wikiData | Q105323971 |