2-[[3-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | 040f4786-0c59-4f6b-b437-3679aefcac5f |
Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
IUPAC Name | 2-[[3-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=C(C=C(C=C1)C2C3(COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC |
SMILES (Isomeric) | COC1=C(C=C(C=C1)C2C3(COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC |
InChI | InChI=1S/C27H34O12/c1-33-17-7-5-14(9-19(17)35-3)25-27(39-26-23(32)22(31)21(30)20(10-28)38-26)12-37-24(15(27)11-36-25)13-4-6-16(29)18(8-13)34-2/h4-9,15,20-26,28-32H,10-12H2,1-3H3 |
InChI Key | HOFGXNLBZBHYMH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H34O12 |
Molecular Weight | 550.60 g/mol |
Exact Mass | 550.20502652 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 0.00 |
There are no found synonyms. |
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 | 99.44% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.87% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.62% | 97.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.62% | 92.94% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.83% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.94% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.90% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.94% | 94.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.86% | 89.62% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 86.76% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 86.29% | 98.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.73% | 86.92% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.53% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.93% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.29% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.24% | 97.14% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.04% | 97.36% |
CHEMBL2535 | P11166 | Glucose transporter | 80.44% | 98.75% |
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 distachya |
PubChem | 162869343 |
LOTUS | LTS0215170 |
wikiData | Q105031244 |