8-Hydroxy-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 | f9e145ef-f8f3-4c4a-ba71-31eceddd5b4b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 8-hydroxy-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) | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)O)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)O)C)OC1 |
| InChI | InChI=1S/C27H40O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h13,16-17,20-23,29H,5-12,14-15H2,1-4H3 |
| InChI Key | WLLNUCAYTNIDKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O4 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-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/e0d56be0-8549-11ee-bc26-53cce7c2d94c.jpg "2D Structure of 8-Hydroxy-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 | 97.51% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.88% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.20% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.89% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.42% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.26% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.09% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.73% | 93.40% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.53% | 94.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.49% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.01% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.99% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.55% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.45% | 91.49% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.89% | 97.28% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.71% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.12% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.78% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.75% | 92.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.29% | 85.30% |
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 | 75080393 |
| LOTUS | LTS0070432 |
| wikiData | Q105308040 |