3-(10,11-dihydroxy-3,7-dimethyl-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacosa-8,15-dien-8-yl)-2H-furan-5-one
| Internal ID | 35376e90-065c-4611-8f6d-4a58e90c3e37 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 14-hydroxysteroids |
| IUPAC Name | 3-(10,11-dihydroxy-3,7-dimethyl-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacosa-8,15-dien-8-yl)-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H36O9/c1-26-12-21-20(37-25-29(38-21)23(6-8-33-25)35-14-36-29)10-16(26)3-4-18-17(26)5-7-27(2)19(11-22(30)28(18,27)32)15-9-24(31)34-13-15/h9-11,17-18,20-23,25,30,32H,3-8,12-14H2,1-2H3 |
| InChI Key | JSDHSHRUWUICQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O9 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 3-(10,11-dihydroxy-3,7-dimethyl-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacosa-8,15-dien-8-yl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/0d6fe510-861b-11ee-a098-2ddc13a1c620.jpg "2D Structure of 3-(10,11-dihydroxy-3,7-dimethyl-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacosa-8,15-dien-8-yl)-2H-furan-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.35% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.03% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.52% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.35% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.56% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.35% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.75% | 83.82% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.85% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.66% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.05% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.62% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.49% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.83% | 94.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.45% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.05% | 89.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.19% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.84% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.10% | 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.
| There are no matching plants. |
| PubChem | 14586313 |
| LOTUS | LTS0039031 |
| wikiData | Q105134287 |