Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-
| Internal ID | e3ffddc9-b364-4a41-aa26-fa3b2416b043 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Aflatoxins > Difurocoumarocyclopentenones |
| IUPAC Name | 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione |
| SMILES (Canonical) | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O |
| SMILES (Isomeric) | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O |
| InChI | InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3 |
| InChI Key | MJBWDEQAUQTVKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O7 |
| Molecular Weight | 328.27 g/mol |
| Exact Mass | 328.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 0.50 |
| Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy- |
| SCHEMBL981351 |
| DTXSID50863945 |
| MJBWDEQAUQTVKK-UHFFFAOYSA-N |
| BCP29226 |
| HY-N6699 |
| CS-0066344 |
| FT-0630351 |
| F82274 |
| 4-hydroxyaflatoxinb1 pound>>4-Hydroxyaflatoxin B1 pound>>AFM1 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.47% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.85% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.83% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.60% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.56% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.55% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.80% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.79% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.07% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.23% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.81% | 96.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.13% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.84% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.35% | 91.19% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.26% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.95% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 23236 |
| LOTUS | LTS0138058 |
| wikiData | Q105165336 |