[2-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methoxybenzoate
Internal ID | c919e25d-4972-4a47-99e0-2a3d1411f8fe |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methoxybenzoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC=CC=C5OC)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC=CC=C5OC)O)O |
InChI | InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3 |
InChI Key | LEIRBJWWXASKQN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H26O12 |
Molecular Weight | 566.50 g/mol |
Exact Mass | 566.14242626 g/mol |
Topological Polar Surface Area (TPSA) | 181.00 Ų |
XlogP | 3.40 |
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 | 99.52% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.39% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 97.86% | 98.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.36% | 95.64% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.33% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.57% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.45% | 89.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.61% | 97.36% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.62% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.65% | 99.23% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.16% | 95.50% |
CHEMBL3194 | P02766 | Transthyretin | 87.21% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.76% | 85.14% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.29% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.60% | 83.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.45% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.40% | 99.15% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.23% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.44% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.66% | 90.00% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.65% | 81.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.40% | 95.89% |
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 | 85261790 |
LOTUS | LTS0105562 |
wikiData | Q105150593 |