5-[(8S,9S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
| Internal ID | 70e8169b-8298-4e01-9b4d-eeb4b3b25d10 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | 5-[(8S,9S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one |
| SMILES (Canonical) | CC12CCC=CC1=CCC3C2CC(C4(C3(CCC4C5=COC(=O)C=C5)O)C)O |
| SMILES (Isomeric) | C[C@]12CCC=CC1=CC[C@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O |
| InChI | InChI=1S/C24H30O4/c1-22-11-4-3-5-16(22)7-8-18-19(22)13-20(25)23(2)17(10-12-24(18,23)27)15-6-9-21(26)28-14-15/h3,5-7,9,14,17-20,25,27H,4,8,10-13H2,1-2H3/t17-,18+,19+,20-,22+,23+,24+/m1/s1 |
| InChI Key | BNUNJCAQDAKNNC-NFWWSSJYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O4 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 5-[(8S,9S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/13e42ac0-84b8-11ee-9aba-1f7410d5d22a.jpg "2D Structure of 5-[(8S,9S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.61% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.59% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.76% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.36% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.19% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.19% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.40% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.65% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.25% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.30% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.01% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.10% | 89.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.85% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.50% | 96.77% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.22% | 97.28% |
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.
| Drimia indica |
| PubChem | 162921587 |
| LOTUS | LTS0075740 |
| wikiData | Q104939034 |