5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Internal ID | 662c0553-a225-41be-bcab-46bbe31f568a |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)OC)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)OC)O)O)O)O)O)O |
InChI | InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-18-21(33)24(36)26(38)29(45-18)44-17-8-16-19(22(34)27(17)40-3)13(31)7-15(43-16)11-4-5-14(39-2)12(30)6-11/h4-8,10,18,20-21,23-26,28-30,32-38H,9H2,1-3H3 |
InChI Key | DEDMNYYOJUBPSV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H34O16 |
Molecular Weight | 638.60 g/mol |
Exact Mass | 638.18468499 g/mol |
Topological Polar Surface Area (TPSA) | 244.00 Ų |
XlogP | -0.80 |
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 | 99.44% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 98.03% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.05% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.98% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.91% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.72% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.37% | 86.92% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.15% | 99.15% |
CHEMBL3194 | P02766 | Transthyretin | 88.03% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.23% | 99.17% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.55% | 83.57% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.61% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.22% | 95.64% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.55% | 95.78% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.08% | 94.03% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.57% | 94.75% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.94% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.80% | 96.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.53% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.22% | 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.
Abrus precatorius |
PubChem | 74977878 |
LOTUS | LTS0202478 |
wikiData | Q104977113 |