6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Internal ID | f4b213ab-d44e-4845-8a48-93916e738d43 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
IUPAC Name | 6-[4-[7-[6-carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O |
InChI | InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)63-17-11-19(45)25-20(46)13-21(64-23(25)12-17)15-4-6-16(7-5-15)62-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60) |
InChI Key | CZVPDCXYEOPQOQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C43H42O26 |
Molecular Weight | 974.80 g/mol |
Exact Mass | 974.19643144 g/mol |
Topological Polar Surface Area (TPSA) | 411.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of 6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 2D Structure of 6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/a3c4e970-8698-11ee-818b-c78d2fc3fde9.jpg)
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 | 99.53% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.34% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.26% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.80% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 97.63% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.48% | 99.15% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.19% | 95.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.85% | 96.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.50% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.93% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.30% | 97.36% |
CHEMBL2581 | P07339 | Cathepsin D | 87.30% | 98.95% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.98% | 85.31% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.15% | 95.78% |
CHEMBL1907 | P15144 | Aminopeptidase N | 85.07% | 93.31% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.86% | 91.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.65% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.46% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.12% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.97% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.42% | 94.73% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.29% | 80.78% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.08% | 99.23% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.84% | 81.11% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.85% | 90.71% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.84% | 91.19% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.57% | 97.09% |
CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.01% | 95.48% |
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.
Medicago sativa |
PubChem | 163024103 |
LOTUS | LTS0250558 |
wikiData | Q104973211 |