(2R,3R,4R,5R,6S)-2-[[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol
Internal ID | bfabc1b9-81e9-4b37-a3f0-6fac351ae7e1 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | (2R,3R,4R,5R,6S)-2-[[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(OC3=C2C=C(C=C3O)CCCO)C4=CC(=C(C=C4)O)OC)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H](OC3=C2C=C(C=C3O)CCCO)C4=CC(=C(C=C4)O)OC)O)O)O |
InChI | InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25+/m0/s1 |
InChI Key | DKOVFEOUMNYYQW-LGOGNIDDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H32O10 |
Molecular Weight | 492.50 g/mol |
Exact Mass | 492.19954721 g/mol |
Topological Polar Surface Area (TPSA) | 158.00 Ų |
XlogP | 0.70 |
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 | 99.47% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.45% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.94% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.20% | 86.33% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.47% | 97.36% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.56% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.41% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.79% | 91.49% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.56% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.82% | 94.00% |
CHEMBL2535 | P11166 | Glucose transporter | 84.36% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.23% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.08% | 95.93% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.08% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.31% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.75% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.69% | 90.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.68% | 95.83% |
CHEMBL3194 | P02766 | Transthyretin | 81.40% | 90.71% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.44% | 89.62% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.02% | 80.78% |
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.
Juniperus communis |
PubChem | 21589940 |
LOTUS | LTS0182743 |
wikiData | Q104983547 |