Apigenosylide B
| Internal ID | 6bdf9a5d-95eb-40fe-bd76-13c900ed8315 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
| IUPAC Name | (5'R,9S,10R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-5'-methyl-10-octylspiro[10H-pyrano[2,3-f][1,2]benzodioxine-9,3'-oxolane]-2',4,4'-trione |
| SMILES (Canonical) | CCCCCCCCC1C2=C3C(=C(C(=C2OOC14C(=O)C(OC4=O)C)C5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)C)O)O)O)O)C(=O)C=C(O3)C7=CC=C(C=C7)O |
| SMILES (Isomeric) | CCCCCCCC[C@@H]1C2=C3C(=C(C(=C2OO[C@]14C(=O)[C@H](OC4=O)C)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)C(=O)C=C(O3)C7=CC=C(C=C7)O |
| InChI | InChI=1S/C41H50O18/c1-4-5-6-7-8-9-10-21-25-34-26(22(44)15-23(55-34)19-11-13-20(43)14-12-19)30(47)27(35(25)58-59-41(21)38(51)18(3)54-40(41)52)36-37(32(49)29(46)24(16-42)56-36)57-39-33(50)31(48)28(45)17(2)53-39/h11-15,17-18,21,24,28-29,31-33,36-37,39,42-43,45-50H,4-10,16H2,1-3H3/t17-,18+,21+,24+,28-,29+,31+,32-,33+,36-,37+,39-,41-/m0/s1 |
| InChI Key | LQXSGEOEMJXPTE-BNLWQAJZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C41H50O18 |
| Molecular Weight | 830.80 g/mol |
| Exact Mass | 830.29971474 g/mol |
| Topological Polar Surface Area (TPSA) | 278.00 Ų |
| XlogP | 3.40 |
| CHEMBL538176 |
| 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 | 99.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.31% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.45% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.61% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.08% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.81% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.83% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.78% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.53% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.39% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.91% | 97.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.23% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.99% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.80% | 98.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.67% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.29% | 92.50% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.97% | 80.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.77% | 82.38% |
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.
| Machilus japonica |
| PubChem | 44479682 |
| LOTUS | LTS0082953 |
| wikiData | Q105155958 |