Dihypoestoxide
| Internal ID | 51304ee6-0f6e-435d-9466-4568960f8548 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (12'-acetyloxy-5,5',10,10',17',17',21,21-octamethyl-15'-oxospiro[4,9,18-trioxapentacyclo[11.7.1.03,5.08,10.014,19]henicos-14(19)-ene-17,14'-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecane]-12-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H64O10/c1-23(45)48-29-21-42(9)32(51-42)12-14-40(7)34(53-40)19-25-17-28-27(36(29)38(25,3)4)11-16-44(50-28)31(47)18-26-20-35-41(8,54-35)15-13-33-43(10,52-33)22-30(49-24(2)46)37(44)39(26,5)6/h25-26,29-30,32-37H,11-22H2,1-10H3 |
| InChI Key | VYPXSORYXNHLEH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C44H64O10 |
| Molecular Weight | 753.00 g/mol |
| Exact Mass | 752.44994823 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 5.50 |
| 90706-58-4 |
| (12'-acetyloxy-5,5',10,10',17',17',21,21-octamethyl-15'-oxospiro[4,9,18-trioxapentacyclo[11.7.1.03,5.08,10.014,19]henicos-14(19)-ene-17,14'-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecane]-12-yl) acetate |
| Spiro(4,9-dioxatetracyclo(11.3.1.03,5.08,10)heptadecane-14,9'-(6,12)methano(9H)bisoxireno(6,7:10,11)cyclotetradeca(1,2-b)pyran)-15-one, 12,13'-bis(acetyloxy)-1'a,2',3',3'a,4'a,5',6',7',10',11',12',13',14',14'a-tetradecahydro-3'a,5,10,14'a,15',15',17,17-octamethyl- |
| 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 | 97.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.09% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.73% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.50% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.92% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.76% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.53% | 94.45% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.13% | 95.36% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.09% | 91.19% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.57% | 95.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.31% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.27% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.12% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.73% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.79% | 92.62% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.75% | 97.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.61% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.11% | 94.08% |
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 | 185040 |
| LOTUS | LTS0043155 |
| wikiData | Q105299137 |