5-[(1R,2S,6S,7R,8S)-1-(3,5-dihydroxyphenyl)-5-hydroxy-8-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-7-yl]benzene-1,3-diol
| Internal ID | 0b129489-4dc0-4c32-b423-106dc33374bc |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-[(1R,2S,6S,7R,8S)-1-(3,5-dihydroxyphenyl)-5-hydroxy-8-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-7-yl]benzene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H34O10/c43-25-7-1-20(2-8-25)34-35(23-13-28(46)17-29(47)14-23)40(41(51)21-3-9-26(44)10-4-21)39-37(34)32(50)19-33-38(39)36(24-15-30(48)18-31(49)16-24)42(52-33)22-5-11-27(45)12-6-22/h1-19,34-36,40-51H/t34-,35-,36-,40+,41-,42-/m1/s1 |
| InChI Key | LWNINBWZDVRGQS-NHHWFTPCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H34O10 |
| Molecular Weight | 698.70 g/mol |
| Exact Mass | 698.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 5-[(1R,2S,6S,7R,8S)-1-(3,5-dihydroxyphenyl)-5-hydroxy-8-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-7-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/387ea5e0-85fb-11ee-9690-ebd27c71d98c.jpg "2D Structure of 5-[(1R,2S,6S,7R,8S)-1-(3,5-dihydroxyphenyl)-5-hydroxy-8-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-7-yl]benzene-1,3-diol")
| 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 | 98.95% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.48% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.89% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.45% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.19% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.61% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.45% | 89.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.36% | 91.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.66% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 83.06% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.53% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.30% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.64% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.30% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.16% | 100.00% |
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.
| Carex unciniiformis |
| PubChem | 162954617 |
| LOTUS | LTS0103806 |
| wikiData | Q105158422 |