Pseudo-anisatin
| Internal ID | 67e2da72-4dd6-4c6d-a797-10b9d7fef0e7 |
| Taxonomy | Organoheterocyclic compounds > Lactones |
| IUPAC Name | (1S,2S,4R,5S,6R,13S)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione |
| SMILES (Canonical) | CC1CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@H]([C@@]2([C@]13CC(=O)[C@@]([C@@]2(COC(=O)C3)C)(C)O)O)O |
| InChI | InChI=1S/C15H22O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8-9,16,19-20H,4-7H2,1-3H3/t8-,9+,12-,13+,14-,15+/m0/s1 |
| InChI Key | NOHXYGXFTACADH-JHLBFKOCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O6 |
| Molecular Weight | 298.33 g/mol |
| Exact Mass | 298.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -0.80 |
| KBio2_002475 |
| Spectrum_001935 |
| SpecPlus_000922 |
| Spectrum3_001292 |
| BSPBio_002923 |
| KBioSS_002482 |
| SPECTRUM240914 |
| DivK1c_007018 |
| KBio1_001962 |
| KBio2_005043 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.41% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.94% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.76% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.08% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.92% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.44% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.30% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.00% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.79% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.76% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.80% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
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.
| Illicium floridanum |
| Illicium parvifolium subsp. oligandrum |
| PubChem | 6708809 |
| LOTUS | LTS0215602 |
| wikiData | Q105182590 |