Gladiatoside A3
Internal ID | b092e80e-a0f7-486c-acd3-11d3a01ce619 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [2-[3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methoxybenzoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)OC(=O)C6=CC=CC=C6OC)C7=CC=C(C=C7)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)OC(=O)C6=CC=CC=C6OC)C7=CC=C(C=C7)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C47H56O26/c1-16-28(51)33(56)37(60)44(65-16)64-15-26-31(54)36(59)42(73-45-38(61)34(57)30(53)25(14-48)69-45)47(70-26)72-40-32(55)27-22(50)12-20(13-24(27)68-39(40)18-8-10-19(49)11-9-18)67-46-41(35(58)29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,41-42,44-54,56-61H,14-15H2,1-3H3 |
InChI Key | UVIPIMQKEJUCMV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C47H56O26 |
Molecular Weight | 1036.90 g/mol |
Exact Mass | 1036.30598189 g/mol |
Topological Polar Surface Area (TPSA) | 399.00 Ų |
XlogP | -1.60 |
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 | 99.67% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.64% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.40% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.12% | 89.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.99% | 97.36% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.80% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.67% | 95.64% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.27% | 99.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.25% | 91.49% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.07% | 95.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.12% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.15% | 94.73% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.01% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.57% | 99.23% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.77% | 99.15% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.29% | 96.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.86% | 97.14% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.16% | 96.21% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.99% | 95.78% |
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.
Canavalia gladiata |
PubChem | 85175906 |
LOTUS | LTS0204317 |
wikiData | Q105279897 |