Dolineone
| Internal ID | 1d0a863f-8984-4d28-921a-103c49c3c94e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one |
| SMILES (Canonical) | C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6 |
| SMILES (Isomeric) | C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6 |
| InChI | InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2 |
| InChI Key | RAJDDCCSNZAPCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H12O6 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 67.10 Ų |
| XlogP | 3.10 |
| Dolichone |
| SCHEMBL20138476 |
| CHEBI:174526 |
| LMPK12060008 |
| 5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one |
| 6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CI |
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.09% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.36% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.62% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.34% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.32% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.98% | 98.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.15% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.15% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.53% | 92.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.81% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.50% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.95% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.91% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.78% | 80.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.70% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.50% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.45% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.45% | 93.40% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.12% | 96.00% |
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.
| Neorautanenia mitis |
| Pachyrhizus erosus |
| Pachyrhizus tuberosus |
| PubChem | 5316959 |
| LOTUS | LTS0084514 |
| wikiData | Q104196410 |