(3R,5S,7R,9R,10S,12R,14R,15S,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-16-one
| Internal ID | 9b1e8c8d-d77f-4525-a0c7-be27fa46978f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | (3R,5S,7R,9R,10S,12R,14R,15S,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O10/c1-14-9-21(36-4)30(35)26(38-14)39-19-11-16-5-6-18-23(27(16,2)12-20(19)40-30)24(32)25(33)28(3)17(7-8-29(18,28)34)15-10-22(31)37-13-15/h10-11,14,17-21,23,25-26,33-35H,5-9,12-13H2,1-4H3/t14-,17-,18-,19-,20-,21-,23-,25-,26+,27+,28+,29+,30+/m1/s1 |
| InChI Key | OJHWRHNPIQQJHO-XPGMDKGFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H40O10 |
| Molecular Weight | 560.60 g/mol |
| Exact Mass | 560.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (3R,5S,7R,9R,10S,12R,14R,15S,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/744a8550-86de-11ee-8851-9d803576eaee.jpg "2D Structure of (3R,5S,7R,9R,10S,12R,14R,15S,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-16-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.20% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.13% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.07% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.48% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.07% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.34% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.41% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.31% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.84% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.31% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.59% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.12% | 94.78% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.16% | 93.67% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.39% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.27% | 94.45% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 83.19% | 91.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.16% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.06% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.36% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.12% | 92.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.39% | 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.
| Anodendron affine |
| PubChem | 21669965 |
| LOTUS | LTS0145654 |
| wikiData | Q104401843 |