(4aR,9bS)-8,9b-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4,4a-dihydrodibenzofuran-3-one
| Internal ID | 75aa54c6-1aa4-40eb-9699-29591eb6d3df |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids |
| IUPAC Name | (4aR,9bS)-8,9b-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4,4a-dihydrodibenzofuran-3-one |
| SMILES (Canonical) | C1C2C(C=CC1=O)(C3=C(O2)C=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)C6C(C(=O)C7=C(C=C(C=C7O6)O)O)O |
| SMILES (Isomeric) | C1[C@@H]2[C@](C=CC1=O)(C3=C(O2)C=CC(=C3)[C@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)[C@H]6[C@H](C(=O)C7=C(C=C(C=C7O6)O)O)O |
| InChI | InChI=1S/C30H22O12/c31-12-3-4-30(29-27(39)25(37)23-17(35)7-14(33)9-20(23)42-29)15-5-11(1-2-18(15)40-21(30)10-12)28-26(38)24(36)22-16(34)6-13(32)8-19(22)41-28/h1-9,21,26-29,32-35,38-39H,10H2/t21-,26+,27+,28+,29-,30+/m1/s1 |
| InChI Key | HYVXHSSJVFRMAO-SCWLKZEGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H22O12 |
| Molecular Weight | 574.50 g/mol |
| Exact Mass | 574.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (4aR,9bS)-8,9b-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4,4a-dihydrodibenzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/41afe810-85d1-11ee-bbee-9318e69a7d6e.jpg "2D Structure of (4aR,9bS)-8,9b-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4,4a-dihydrodibenzofuran-3-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 | 98.66% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.76% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.63% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.95% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.97% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.40% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.14% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.67% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.18% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.88% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.86% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.35% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.58% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.55% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.34% | 92.94% |
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.
| Hypnum cupressiforme |
| PubChem | 162876882 |
| LOTUS | LTS0133787 |
| wikiData | Q105035498 |