(2R,2'R,3R,3'R)-2'-(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxy-2-(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
| Internal ID | 0e40525c-b8f1-4c13-a20d-36c2cc47c99e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R,2'R,3R,3'R)-2'-(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxy-2-(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC3=C2C4(C(OC5=CC(=CC(=C54)O)O)C6=CC=C(C=C6)O)C(=O)O3)O)C7=CC(=C(C=C7)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@]4([C@H](OC5=CC(=CC(=C54)O)O)C6=CC=C(C=C6)O)C(=O)O3)O)C7=CC(=C(C=C7)O)O)O |
| InChI | InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)28-30(24-20(36)8-15(32)9-22(24)39-28)25-23(40-29(30)38)11-18(34)16-10-21(37)26(41-27(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,21,26,28,31-37H,10H2/t21-,26-,28-,30-/m1/s1 |
| InChI Key | VRXLDKQKMDSSHS-LYFQOWASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O11 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (2R,2'R,3R,3'R)-2'-(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxy-2-(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one](https://plantaedb.com/storage/docs/compounds/2023/11/84839b00-85b3-11ee-bb38-f5fd97203857.jpg "2D Structure of (2R,2'R,3R,3'R)-2'-(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxy-2-(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-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 | 99.60% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.45% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.05% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.85% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.64% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.62% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.83% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.37% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.64% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.62% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.08% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.58% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.57% | 86.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.18% | 99.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.74% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.59% | 95.89% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.79% | 82.50% |
| CHEMBL3194 | P02766 | Transthyretin | 81.09% | 90.71% |
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.
| Abies sachalinensis |
| PubChem | 52914220 |
| LOTUS | LTS0128848 |
| wikiData | Q105292028 |