17-epi-17-Hydroxyazadiradione
| Internal ID | 590f7655-a9b6-4a0c-9896-e43b7b33a9db |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [(5R,7R,8R,9R,10R,13R,17R)-17-(furan-3-yl)-17-hydroxy-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthren-7-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H34O6/c1-16(29)34-23-14-19-24(2,3)21(30)8-10-25(19,4)18-7-11-26(5)20(27(18,23)6)13-22(31)28(26,32)17-9-12-33-15-17/h8-10,12-13,15,18-19,23,32H,7,11,14H2,1-6H3/t18-,19+,23-,25-,26-,27-,28-/m1/s1 |
| InChI Key | QXKHBVSTPRHRQV-CMBOGFGBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H34O6 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 93.80 Ų |
| XlogP | 3.90 |
| CHEMBL1774393 |
| SCHEMBL30278966 |
| CHEBI:67288 |
| DTXSID801109845 |
| 160669-70-5 |
| Q27135747 |
| (5alpha,7alpha,13alpha,17alpha)-17-(furan-3-yl)-17-hydroxy-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate |
| (5I+/-,7I+/-,13I+/-)-7-(Acetyloxy)-21,23-epoxy-17-hydroxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.12% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.71% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.72% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.39% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.42% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.34% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.68% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.82% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.65% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.24% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.16% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.74% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 83.65% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.84% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.80% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.45% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.18% | 97.14% |
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.
| Azadirachta indica |
| PubChem | 52951894 |
| NPASS | NPC663 |
| ChEMBL | CHEMBL1774393 |
| LOTUS | LTS0072624 |
| wikiData | Q27135747 |