27-Hydroxy-15-(hydroxymethyl)-9-methylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione
| Internal ID | d1aec783-4d0c-4568-8f5b-4838719aae0e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes |
| IUPAC Name | 27-hydroxy-15-(hydroxymethyl)-9-methylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O11/c1-26-18-12-20(29(26)15-37-29)38-19-10-16(13-30)5-8-27(19,26)14-35-22(32)11-17-6-9-36-28(7-3-2-4-21(31)39-18)23(33)25(34)40-24(17)28/h2,4,10-11,18-20,23-24,30,33H,3,5-9,12-15H2,1H3 |
| InChI Key | WZFQVHLHDOHYPH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O11 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 27-Hydroxy-15-(hydroxymethyl)-9-methylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione](https://plantaedb.com/storage/docs/compounds/2023/11/2e596e20-8617-11ee-a8b1-eb5f55c9df02.jpg "2D Structure of 27-Hydroxy-15-(hydroxymethyl)-9-methylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.92% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.82% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.39% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.86% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.31% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.02% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.65% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.27% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.84% | 86.33% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.66% | 99.43% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.89% | 97.28% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.56% | 97.50% |
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 | 162814253 |
| LOTUS | LTS0219963 |
| wikiData | Q104200765 |