Dalpatein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
| Internal ID | 1b73668e-dab5-4c80-b52b-939ded3603ec |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1C3=COC4=CC(=C(C=C4C3=O)OC)OC5C(C(C(C(O5)COC6C(C(CO6)(CO)O)O)O)O)O)OCO2 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1C3=COC4=CC(=C(C=C4C3=O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)O)O)OCO2 |
| InChI | InChI=1S/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23-,24+,25-,26+,27-,28-,29-/m1/s1 |
| InChI Key | KAZTVTFKDLJVBH-PNJBZCJOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H32O16 |
| Molecular Weight | 636.60 g/mol |
| Exact Mass | 636.16903493 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -1.00 |
| CHEBI:55467 |
| Q27124313 |
| 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 | 99.69% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.82% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.69% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.08% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.14% | 97.36% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.95% | 94.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.98% | 92.98% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.83% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.95% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.70% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.06% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.17% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.05% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.91% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.75% | 94.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.79% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.78% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.29% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.96% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.48% | 95.83% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.06% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.53% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.12% | 85.14% |
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.
| Dalbergia lanceolaria subsp. paniculata |
| PubChem | 86289078 |
| LOTUS | LTS0150643 |
| wikiData | Q27124313 |