3,4,3',4'-Bisdehydroxanthomegnin
| Internal ID | fb488b43-b375-4acb-ad7f-7330dcc43b04 |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones |
| IUPAC Name | 10-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxobenzo[g]isochromen-8-yl)-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C=C(OC6=O)C)O)OC |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C=C(OC6=O)C)O)OC |
| InChI | InChI=1S/C30H18O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h5-8,33-34H,1-4H3 |
| InChI Key | XJPVLWVZQWRVSC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H18O12 |
| Molecular Weight | 570.50 g/mol |
| Exact Mass | 570.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.12% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.84% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.70% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.09% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.51% | 96.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.69% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.95% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.07% | 93.65% |
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.
| Paepalanthus latipes |
| PubChem | 101305718 |
| LOTUS | LTS0154966 |
| wikiData | Q75063760 |