25-Hydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19,26-trione
| Internal ID | 0722e002-5b61-4212-b3e6-b4984e75f4cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes |
| IUPAC Name | 25-hydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19,26-trione |
| SMILES (Canonical) | CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(=O)C6O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C |
| SMILES (Isomeric) | CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(=O)C6O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C |
| InChI | InChI=1S/C29H32O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-21,24,31H,6,8-10,12-14H2,1-2H3 |
| InChI Key | CITZZDPFYHUTBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O11 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 25-Hydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19,26-trione](https://plantaedb.com/storage/docs/compounds/2023/11/cd2eb6c0-84e4-11ee-a1bf-13b083739461.jpg "2D Structure of 25-Hydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19,26-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.08% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.03% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.30% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.24% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.05% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.37% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.60% | 94.45% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.80% | 81.11% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.77% | 97.28% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.47% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.83% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.44% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.63% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.25% | 95.89% |
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 | 162978855 |
| LOTUS | LTS0060667 |
| wikiData | Q103817768 |