2-(15,16-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol
| Internal ID | d9407daf-2644-4290-9576-63ad87e222ca |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-(15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(C(C(C(C6)O)O)OC7C(C(C(CO7)O)O)O)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(C(C(C(C6)O)O)OC7C(C(C(CO7)O)O)O)C)C)C)OC1 |
| InChI | InChI=1S/C32H52O9/c1-15-7-10-32(39-13-15)16(2)24-23(41-32)12-20-18-6-5-17-11-21(33)26(36)28(31(17,4)19(18)8-9-30(20,24)3)40-29-27(37)25(35)22(34)14-38-29/h15-29,33-37H,5-14H2,1-4H3 |
| InChI Key | GZMNAJUVLAIUAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O9 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.36113323 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2-(15,16-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/75a48ae0-85a7-11ee-8c2c-9dbd96523a52.jpg "2D Structure of 2-(15,16-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol")
| 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 | 96.70% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.90% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.68% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.52% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.14% | 89.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.91% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.83% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.56% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 90.33% | 96.01% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.42% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.20% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.03% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.60% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.05% | 98.99% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.78% | 92.86% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.59% | 95.38% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 83.33% | 97.86% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.19% | 95.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.14% | 97.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.08% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.04% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.77% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.23% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.02% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.01% | 90.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.24% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.20% | 96.38% |
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 tokoro |
| PubChem | 4483247 |
| LOTUS | LTS0044717 |
| wikiData | Q105024454 |