7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Internal ID | aaab4ee3-fa90-405b-bb92-5eadfd7bbb5e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 7-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C34H42O19/c1-12-23(38)26(41)29(44)32(48-12)47-11-21-25(40)28(43)31(53-33-30(45)27(42)24(39)20(10-35)51-33)34(52-21)49-15-7-16(36)22-17(37)9-18(50-19(22)8-15)13-3-5-14(46-2)6-4-13/h3-9,12,20-21,23-36,38-45H,10-11H2,1-2H3 |
InChI Key | LKUZZIAXQNAIHP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H42O19 |
Molecular Weight | 754.70 g/mol |
Exact Mass | 754.23202911 g/mol |
Topological Polar Surface Area (TPSA) | 293.00 Ų |
XlogP | -2.10 |
There are no found synonyms. |
![2D Structure of 7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one 2D Structure of 7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d83e3a60-868e-11ee-b224-4761aec132f0.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 | 99.76% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.65% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.81% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.75% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.45% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.36% | 86.92% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.27% | 99.15% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.50% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.75% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.35% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
CHEMBL1907 | P15144 | Aminopeptidase N | 88.21% | 93.31% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.56% | 96.09% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.17% | 81.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.20% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 84.83% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.15% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.05% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.96% | 95.89% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.01% | 96.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.50% | 96.21% |
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.
Robinia pseudoacacia |
PubChem | 72789000 |
LOTUS | LTS0136573 |
wikiData | Q105153296 |