4-Acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid
Internal ID | 786d410d-06dc-4db1-bc50-1efb40e480b5 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
IUPAC Name | 4-acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | CC(=O)OC1C(C(OC(C1O)OC2=C(C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C(=O)O)O |
SMILES (Isomeric) | CC(=O)OC1C(C(OC(C1O)OC2=C(C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C(=O)O)O |
InChI | InChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32) |
InChI Key | ODVPGHBKUZXZJN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H20O13 |
Molecular Weight | 504.40 g/mol |
Exact Mass | 504.09039069 g/mol |
Topological Polar Surface Area (TPSA) | 210.00 Ų |
XlogP | 1.30 |
There are no found synonyms. |
![2D Structure of 4-Acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid 2D Structure of 4-Acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/918a4a60-8612-11ee-b3bc-73efc7c689bf.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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.04% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.69% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.60% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.67% | 98.95% |
CHEMBL3194 | P02766 | Transthyretin | 96.39% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.96% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.89% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.73% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.64% | 95.78% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.28% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.17% | 99.17% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.81% | 81.11% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.76% | 86.92% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.89% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.61% | 99.23% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.53% | 96.09% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.29% | 95.64% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.86% | 97.53% |
CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.17% | 89.23% |
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.
Rosmarinus officinalis |
PubChem | 74977668 |
LOTUS | LTS0109941 |
wikiData | Q105190070 |