2a,3a-Dihydroxyandrostan-16-one
| Internal ID | 1e375036-8c90-4681-941a-b969c19c4ae0 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 16-oxosteroids |
| IUPAC Name | (1R,2S,5R,9S,10S,13S,15S,16S)-15,16-dihydroxy-5-methyl-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one |
| SMILES (Canonical) | CC12CCC3C(C1CC(=O)C2)CCC4C35CC(C(C4)O)(OC5)O |
| SMILES (Isomeric) | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2)CC[C@@H]4[C@]35C[C@@]([C@H](C4)O)(OC5)O |
| InChI | InChI=1S/C19H28O4/c1-17-5-4-14-13(15(17)7-12(20)8-17)3-2-11-6-16(21)19(22)9-18(11,14)10-23-19/h11,13-16,21-22H,2-10H2,1H3/t11-,13+,14-,15-,16-,17+,18+,19-/m0/s1 |
| InChI Key | ONICYSBMOZSVKS-DBZSEJJRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 | 92.61% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.77% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.91% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.47% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.08% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.19% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.11% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.09% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.23% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.63% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.59% | 97.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.26% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.22% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.33% | 92.94% |
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.
| Trichilia claussenii |
| PubChem | 139077048 |
| LOTUS | LTS0065054 |
| wikiData | Q105194701 |