10-(3,7-Dimethylocta-2,6-dienyl)-2,3,7,9-tetrahydroxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
| Internal ID | 634015b7-b969-4036-bb81-8c3602bfbf36 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 10-(3,7-dimethylocta-2,6-dienyl)-2,3,7,9-tetrahydroxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)OC3=C(O2)C=C(C(=C3CC=C(C)C)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)OC3=C(O2)C=C(C(=C3CC=C(C)C)O)O)C)C |
| InChI | InChI=1S/C28H32O7/c1-15(2)7-6-8-17(5)10-12-18-20(29)13-21(30)24-27(18)34-23-14-22(31)25(32)19(11-9-16(3)4)26(23)35-28(24)33/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3 |
| InChI Key | PBDBSKFFPDXXGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O7 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-2,3,7,9-tetrahydroxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/05737440-876d-11ee-978a-d3226c1b679f.jpg "2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-2,3,7,9-tetrahydroxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-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 | 99.71% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.28% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.51% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.98% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.52% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.20% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.81% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.15% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.27% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.30% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.57% | 90.00% |
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 parvifolia |
| Plectranthus grandidentatus |
| Plectranthus sanguineus |
| PubChem | 73237817 |
| LOTUS | LTS0080583 |
| wikiData | Q105344509 |