[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate
Internal ID | 3bb896b7-3d43-47c8-9130-a12815f884e4 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
IUPAC Name | [2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate |
SMILES (Canonical) | COC1=C(C=C(C=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)OC |
SMILES (Isomeric) | COC1=C(C=C(C=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)OC |
InChI | InChI=1S/C30H28O14/c1-40-19-6-4-13(8-21(19)41-2)30(39)44-29-26(38)25(37)22(11-31)43-28(29)24-17(35)9-16(34)23-18(36)10-20(42-27(23)24)12-3-5-14(32)15(33)7-12/h3-10,22,25-26,28-29,31-35,37-38H,11H2,1-2H3 |
InChI Key | DZMBDBKFGSMXBR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H28O14 |
Molecular Weight | 612.50 g/mol |
Exact Mass | 612.14790556 g/mol |
Topological Polar Surface Area (TPSA) | 222.00 Ų |
XlogP | 2.00 |
There are no found synonyms. |
![2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate 2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/84dfd990-847a-11ee-8d14-291ce7afa682.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 | 98.06% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.91% | 96.21% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.58% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.37% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.37% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.28% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.99% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.61% | 86.92% |
CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 90.92% | 89.23% |
CHEMBL3194 | P02766 | Transthyretin | 90.58% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.35% | 96.09% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.21% | 96.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.58% | 95.89% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.36% | 95.83% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.08% | 96.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.06% | 97.28% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.92% | 92.94% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.40% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.29% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.16% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.05% | 97.09% |
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.
Trollius ledebourii |
PubChem | 73803375 |
LOTUS | LTS0270254 |
wikiData | Q104991876 |