Atrovirisidone
| Internal ID | f336851e-2399-49d7-86b7-48fdca2ce1fd |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 2,7,9-trihydroxy-1-methoxy-3,4-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C(=C1O)OC)OC3=CC(=CC(=C3C(=O)O2)O)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C(=C1O)OC)OC3=CC(=CC(=C3C(=O)O2)O)O)CC=C(C)C)C |
| InChI | InChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3 |
| InChI Key | KGIATYCAIYWYED-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H26O7 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.20 |
| 2,7,9-trihydroxy-1-methoxy-3,4-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one |
| CHEMBL464480 |
| CHEBI:169074 |
| 5,12,14-trihydroxy-4-methoxy-6,7-bis(3-methylbut-2-en-1-yl)-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one |
| InChI=1/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H |
| 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 | 99.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.14% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.03% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.66% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.82% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.49% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.23% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.11% | 99.15% |
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.
| Garcinia atroviridis |
| PubChem | 10342405 |
| LOTUS | LTS0206873 |
| wikiData | Q105140783 |