6,10,11-Trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-3-one
| Internal ID | aead2d4e-474a-4cc0-8f3d-5d3acb8c8700 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 6,7-dihydroxycoumarins |
| IUPAC Name | 6,10,11-trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-3-one |
| SMILES (Canonical) | CC1CC(C2=C(C(=O)OC3=C2C1=C(C(=C3C)O)O)C)O |
| SMILES (Isomeric) | CC1CC(C2=C(C(=O)OC3=C2C1=C(C(=C3C)O)O)C)O |
| InChI | InChI=1S/C15H16O5/c1-5-4-8(16)10-6(2)15(19)20-14-7(3)12(17)13(18)9(5)11(10)14/h5,8,16-18H,4H2,1-3H3 |
| InChI Key | VCBHABVPYYFXJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 6,10,11-Trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/61011-trihydroxy-4812-trimethyl-2-oxatricyclo7310513trideca-1134911-tetraen-3-one.jpg "2D Structure of 6,10,11-Trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-3-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 | 94.56% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.99% | 95.58% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.13% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.10% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.12% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.88% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.79% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.76% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.15% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.36% | 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.
| Helicteres angustifolia |
| PubChem | 75059643 |
| LOTUS | LTS0166570 |
| wikiData | Q105283589 |