Ailantinol B
| Internal ID | 8a9eb40f-c250-4894-95da-e7a0a478b175 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | (1S,4R,5R,6S,7R,11R,13S,17S,18S,19R)-4,5,6,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione |
| SMILES (Canonical) | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4CC(=O)O3)(C)O)O)(OC5)O)C)O |
| SMILES (Isomeric) | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@]([C@@H]4CC(=O)O3)(C)O)O)(OC5)O)C)O |
| InChI | InChI=1S/C20H26O8/c1-8-4-10(21)14(23)17(2)9(8)5-12-19-7-27-20(26,15(17)19)16(24)18(3,25)11(19)6-13(22)28-12/h4,9,11-12,14-16,23-26H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17+,18-,19+,20+/m0/s1 |
| InChI Key | WTDQKXYYDYGVFN-PYCUNDFFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O8 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | -1.60 |
| SCHEMBL1276468 |
| (1S,4R,5R,6S,7R,11R,13S,17S,18S,19R)-4,5,6,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.15% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.35% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.05% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.27% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.22% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.99% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.92% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.46% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.26% | 97.25% |
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.
| Ailanthus altissima |
| PubChem | 10739389 |
| LOTUS | LTS0169851 |
| wikiData | Q104389439 |