3-Epi-Sodwanone K
| Internal ID | 4d14b3dc-db4e-48ab-bb27-d5ea797dc26f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (5aR,6S,7S,9aS)-6-[2-[(3R,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O5/c1-19-9-11-24-28(7,16-14-22(31)26(3,4)34-24)21(19)13-18-30(33)20(2)10-12-25-29(30,8)17-15-23(32)27(5,6)35-25/h20-22,24-25,31,33H,1,9-18H2,2-8H3/t20-,21+,22+,24-,25-,28-,29+,30-/m0/s1 |
| InChI Key | IRCOVLVJMFRFTK-HDMCRKIGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.50 |
| (5aR,6S,7S,9aS)-6-(2-((3R,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo(b)oxepin-6-yl)ethyl)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydrobenzo(b)oxepin-3-one |
| (5aR,6S,7S,9aS)-6-[2-[(3R,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| RefChem:93759 |
| CHEMBL494455 |
| BDBM50478851 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.82% | 91.11% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 89.66% | 90.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.63% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.56% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.92% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.89% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.36% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.34% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.68% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.46% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.79% | 86.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.25% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.16% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.54% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.71% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.21% | 85.14% |
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.
| There are no matching plants. |
| PubChem | 16099429 |
| LOTUS | LTS0208662 |
| wikiData | Q105118769 |