Dimethyl 24-hydroxy-3,9,11,14,17,20,27,32,35,38,41,44-dodecamethyl-23-oxo-2,25-dioxaundecacyclo[24.20.0.03,24.04,21.07,20.08,17.011,16.028,45.031,44.032,41.035,40]hexatetraconta-1(26),4,6,8,21,27,29,45-octaene-14,38-dicarboxylate
| Internal ID | b6f21c43-1bfe-457d-a386-2e5cb4118bba |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids |
| IUPAC Name | dimethyl 24-hydroxy-3,9,11,14,17,20,27,32,35,38,41,44-dodecamethyl-23-oxo-2,25-dioxaundecacyclo[24.20.0.03,24.04,21.07,20.08,17.011,16.028,45.031,44.032,41.035,40]hexatetraconta-1(26),4,6,8,21,27,29,45-octaene-14,38-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H78O8/c1-34-31-51(4)20-22-52(5,48(62)65-13)32-43(51)56(9)25-24-54(7)38(46(34)56)17-16-37-40(54)30-45(61)60(64)59(37,12)67-41-29-39-36(35(2)47(41)68-60)15-18-42-55(39,8)26-28-58(11)44-33-53(6,49(63)66-14)21-19-50(44,3)23-27-57(42,58)10/h15-18,29-30,42-44,64H,19-28,31-33H2,1-14H3 |
| InChI Key | TYPHGZJYQAPECZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C60H78O8 |
| Molecular Weight | 927.30 g/mol |
| Exact Mass | 926.56966944 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of Dimethyl 24-hydroxy-3,9,11,14,17,20,27,32,35,38,41,44-dodecamethyl-23-oxo-2,25-dioxaundecacyclo[24.20.0.03,24.04,21.07,20.08,17.011,16.028,45.031,44.032,41.035,40]hexatetraconta-1(26),4,6,8,21,27,29,45-octaene-14,38-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b0965170-855f-11ee-a6df-ff88ba525dc4.jpg "2D Structure of Dimethyl 24-hydroxy-3,9,11,14,17,20,27,32,35,38,41,44-dodecamethyl-23-oxo-2,25-dioxaundecacyclo[24.20.0.03,24.04,21.07,20.08,17.011,16.028,45.031,44.032,41.035,40]hexatetraconta-1(26),4,6,8,21,27,29,45-octaene-14,38-dicarboxylate")
| 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 | 99.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.31% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.17% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.20% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.79% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.74% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.02% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.67% | 92.94% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.22% | 82.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.01% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.52% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.89% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.58% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.78% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.31% | 92.62% |
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.
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| There are no matching plants. |
| PubChem | 85112162 |
| LOTUS | LTS0195173 |
| wikiData | Q105267642 |