(2R,2'R,3'R,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
| Internal ID | 31e6b36b-aa5e-4308-841a-a380edf524ef |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R,2'R,3'R,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC3=C2C4(C(O3)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6O4)O)O)O)C7=CC=C(C=C7)O)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@]4([C@H](O3)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6O4)O)O)O)C7=CC=C(C=C7)O)O |
| InChI | InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)30(29(38-23)14-3-7-16(32)8-4-14)28(37)24-20(35)9-17(33)10-22(24)40-30/h1-10,12,21,26,29,31-36H,11H2/t21-,26-,29-,30+/m1/s1 |
| InChI Key | BYBKYSAHKVMKNH-GLQAYRDCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O10 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (2R,2'R,3'R,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/38c36fd0-8383-11ee-860a-6752cd1534c2.jpg "2D Structure of (2R,2'R,3'R,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-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 | 99.64% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.40% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.37% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.19% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.74% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.64% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.04% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.63% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.45% | 85.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.69% | 99.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.20% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.17% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.56% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.30% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.38% | 95.89% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.19% | 95.55% |
| CHEMBL3194 | P02766 | Transthyretin | 81.82% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.10% | 96.12% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.50% | 97.93% |
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.
| Daphne genkwa |
| PubChem | 162957567 |
| LOTUS | LTS0140873 |
| wikiData | Q104949106 |