3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Internal ID | ac0aa37a-63d6-4026-be8f-a16eca871193 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one |
SMILES (Canonical) | CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3CC4C(C(OC=C4C(=O)O3)OC5C(C(C(C(O5)CO)O)O)O)C=C |
SMILES (Isomeric) | CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3CC4C(C(OC=C4C(=O)O3)OC5C(C(C(C(O5)CO)O)O)O)C=C |
InChI | InChI=1S/C26H28O13/c1-3-11-12-6-16(18-9(2)36-15-5-10(28)4-14(29)19(15)21(18)31)37-24(34)13(12)8-35-25(11)39-26-23(33)22(32)20(30)17(7-27)38-26/h3-5,8,11-12,16-17,20,22-23,25-30,32-33H,1,6-7H2,2H3 |
InChI Key | JWVRLUKQBCGKPV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H28O13 |
Molecular Weight | 548.50 g/mol |
Exact Mass | 548.15299094 g/mol |
Topological Polar Surface Area (TPSA) | 202.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of 3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one 2D Structure of 3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/b7d07e70-8638-11ee-8b1e-bb981655d666.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 | 98.90% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.14% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.05% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.57% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.14% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.92% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.19% | 86.33% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.17% | 97.36% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 88.82% | 91.49% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.06% | 96.21% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.78% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.64% | 99.23% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.10% | 96.00% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 83.05% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.74% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.07% | 100.00% |
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.
Neonauclea sessilifolia |
PubChem | 73803275 |
LOTUS | LTS0271330 |
wikiData | Q105136404 |