4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
Internal ID | 18ae3868-3fd0-420c-a824-a12f9d234344 |
Taxonomy | Lignans, neolignans and related compounds > Stilbenolignans |
IUPAC Name | 4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol |
SMILES (Canonical) | C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC(C(O2)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O |
SMILES (Isomeric) | C1=CC2=C(C=C1/C=C\C3=CC(=CC(=C3)O)O)O[C@@H]([C@H](O2)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O |
InChI | InChI=1S/C28H22O8/c29-19-7-16(8-20(30)13-19)2-1-15-3-6-25-26(9-15)36-28(18-10-21(31)14-22(32)11-18)27(35-25)17-4-5-23(33)24(34)12-17/h1-14,27-34H/b2-1-/t27-,28-/m1/s1 |
InChI Key | NKUZVJOKTLLGKC-QNBILCKBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H22O8 |
Molecular Weight | 486.50 g/mol |
Exact Mass | 486.13146766 g/mol |
Topological Polar Surface Area (TPSA) | 140.00 Ų |
XlogP | 4.80 |
There are no found synonyms. |
![2D Structure of 4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol 2D Structure of 4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/b5bbd030-85ee-11ee-91c9-11b82f4171d4.jpg)
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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.71% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 96.18% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.41% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.38% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.66% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.89% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.74% | 96.00% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.93% | 96.12% |
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.
Maackia amurensis |
PubChem | 163190490 |
LOTUS | LTS0215251 |
wikiData | Q105181179 |