6alpha-Acetoxyepoxyazadiradione
| Internal ID | fde5951f-ab8c-4ff8-b962-b997d7ea215b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [(1S,2R,4S,6S,7S,10R,11R,16R,17R,18S)-18-acetyloxy-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-17-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(C(=O)C=CC2(C3CCC4(C(C(=O)C5C4(C3(C1OC(=O)C)C)O5)C6=COC=C6)C)C)(C)C |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@@H]2[C@](C=CC(=O)C2(C)C)([C@H]3CC[C@]4([C@@H](C(=O)[C@@H]5[C@@]4([C@@]3([C@@H]1OC(=O)C)C)O5)C6=COC=C6)C)C |
| InChI | InChI=1S/C30H36O8/c1-15(31)36-22-23-26(3,4)19(33)9-11-27(23,5)18-8-12-28(6)20(17-10-13-35-14-17)21(34)24-30(28,38-24)29(18,7)25(22)37-16(2)32/h9-11,13-14,18,20,22-25H,8,12H2,1-7H3/t18-,20-,22-,23+,24-,25-,27-,28+,29+,30-/m1/s1 |
| InChI Key | XPZIMHGZVQDLNZ-OCLWKNLXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H36O8 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.80 |
| (8S*,10R*)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17- hexahydro-14,15-epoxy-5H-cyclopenta[a]phenanthrene-6alpha,7alpha-diyl diacetate |
| 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 | 98.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.81% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.49% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.22% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.22% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.09% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.93% | 81.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.74% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.46% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.95% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.72% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.18% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.17% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.45% | 98.95% |
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.
| Chisocheton cumingianus subsp. balansae |
| Entandrophragma delevoyi |
| PubChem | 101596702 |
| LOTUS | LTS0176380 |
| wikiData | Q105339198 |