5',8-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
| Internal ID | ad539d43-ae6c-484d-8220-c7d188fca2b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 5',8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one |
| SMILES (Canonical) | CC1C2(CCC(CO2)(C)O)OC3C1(C4(CCC5C(C4C3)CCC6=CC(=O)CCC56C)C)O |
| SMILES (Isomeric) | CC1C2(CCC(CO2)(C)O)OC3C1(C4(CCC5C(C4C3)CCC6=CC(=O)CCC56C)C)O |
| InChI | InChI=1S/C27H40O5/c1-16-26(12-11-23(2,29)15-31-26)32-22-14-21-19-6-5-17-13-18(28)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,29-30H,5-12,14-15H2,1-4H3 |
| InChI Key | VIICIDHJJSSKLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O5 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 444.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 5',8-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/52ace380-8701-11ee-9ace-8b39b9d4c44f.jpg "2D Structure of 5',8-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 97.64% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.52% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.69% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.77% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.38% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.67% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.60% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.36% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.47% | 93.40% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.15% | 94.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.75% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.73% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.56% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.34% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.32% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.30% | 93.04% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.55% | 85.30% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.87% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.16% | 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.
| Dioscorea bulbifera |
| PubChem | 75080394 |
| LOTUS | LTS0117720 |
| wikiData | Q105286845 |