8-Acetyl-9,13-dihydroxy-4,13-dimethyl-6,11-dioxatetracyclo[7.4.0.03,7.010,12]trideca-1,3-dien-5-one
| Internal ID | 0fe6a284-f2b9-4bd7-92a2-b8f564eeec42 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 8-acetyl-9,13-dihydroxy-4,13-dimethyl-6,11-dioxatetracyclo[7.4.0.03,7.010,12]trideca-1,3-dien-5-one |
| SMILES (Canonical) | CC1=C2C=C3C(C4C(C3(C(C2OC1=O)C(=O)C)O)O4)(C)O |
| SMILES (Isomeric) | CC1=C2C=C3C(C4C(C3(C(C2OC1=O)C(=O)C)O)O4)(C)O |
| InChI | InChI=1S/C15H16O6/c1-5-7-4-8-14(3,18)11-12(21-11)15(8,19)9(6(2)16)10(7)20-13(5)17/h4,9-12,18-19H,1-3H3 |
| InChI Key | BENYSFUEUNYGAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O6 |
| Molecular Weight | 292.28 g/mol |
| Exact Mass | 292.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.40 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of 8-Acetyl-9,13-dihydroxy-4,13-dimethyl-6,11-dioxatetracyclo[7.4.0.03,7.010,12]trideca-1,3-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-acetyl-913-dihydroxy-413-dimethyl-611-dioxatetracyclo74003701012trideca-13-dien-5-one.jpg "2D Structure of 8-Acetyl-9,13-dihydroxy-4,13-dimethyl-6,11-dioxatetracyclo[7.4.0.03,7.010,12]trideca-1,3-dien-5-one")
| 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 | 93.37% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.34% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.41% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.26% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.72% | 87.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.48% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.81% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.29% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.17% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.53% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.82% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.85% | 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.
| Achillea crithmifolia |
| Picrasma crenata |
| Picrasma javanica |
| Picrasma quassioides |
| Quassia africana |
| Quassia amara |
| PubChem | 162789741 |
| LOTUS | LTS0042365 |
| wikiData | Q104388282 |