| Internal ID | 277eeda2-54c3-4288-9857-9616a7182d48 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | |
| SMILES (Canonical) | C1=CC(=O)C=CC1=C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O |
| SMILES (Isomeric) | C1=CC(=O)C=CC1=C2[C@@H](C3=C4[C@H]([C@@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@H]7[C@@H](C8=C(C=C(C=C8O)O)[C@H]9[C@@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O |
| InChI | InChI=1S/C56H40O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45,51-57,59-66H/t45-,51-,52-,53-,54-,55+,56+/m1/s1 |
| InChI Key | YHCLTZGAGCGGQE-MTSSHPIASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H40O12 |
| Molecular Weight | 904.90 g/mol |
| Exact Mass | 904.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 218.00 Ų |
| XlogP | 8.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.84% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.17% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.42% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.59% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.15% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.88% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.88% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.40% | 94.73% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.99% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.70% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.31% | 96.12% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.35% | 97.33% |
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.
| Sophora stenophylla |
| Upuna borneensis |
| PubChem | 16146988 |
| LOTUS | LTS0200024 |
| wikiData | Q105348357 |