8-Hydroxy-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxolane]-16-one
| Internal ID | 9470208f-d073-44df-92eb-a87e9ba473b6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 8-hydroxy-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxolane]-16-one |
| SMILES (Canonical) | CC1C2(CCC(O2)(C)CO)OC3C1(C4(CCC5C(C4C3)CCC6=CC(=O)CCC56C)C)O |
| SMILES (Isomeric) | CC1C2(CCC(O2)(C)CO)OC3C1(C4(CCC5C(C4C3)CCC6=CC(=O)CCC56C)C)O |
| InChI | InChI=1S/C27H40O5/c1-16-26(12-11-23(2,15-28)32-26)31-22-14-21-19-6-5-17-13-18(29)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,28,30H,5-12,14-15H2,1-4H3 |
| InChI Key | MJWCLSBMPLOHJT-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 8-Hydroxy-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxolane]-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/8301b7f0-87c3-11ee-aee8-aff8ca56ec18.jpg "2D Structure of 8-Hydroxy-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxolane]-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 | 97.37% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.32% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 96.00% | 96.43% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.88% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.58% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.21% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.44% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.40% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.30% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.90% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.77% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.16% | 98.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.48% | 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.
| Dioscorea bulbifera |
| PubChem | 75080395 |
| LOTUS | LTS0043371 |
| wikiData | Q105165701 |