[(2R,3S,4S,5R,6S)-6-[3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 2a053cc8-15ee-4fd0-9c54-3f4fceff44c0 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)OC8C(C(C(C(O8)CO)O)O)O)O)O |
SMILES (Isomeric) | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O |
InChI | InChI=1S/C48H56O27/c1-16-29(54)38(63)45(75-47-41(66)36(61)31(56)24(14-50)72-47)48(68-16)74-44-34(59)27-21(69-42(44)18-5-9-20(52)10-6-18)12-22(28(33(27)58)43-39(64)35(60)30(55)23(13-49)70-43)71-46-40(65)37(62)32(57)25(73-46)15-67-26(53)11-4-17-2-7-19(51)8-3-17/h2-12,16,23-25,29-32,35-41,43,45-52,54-58,60-66H,13-15H2,1H3/b11-4+/t16-,23-,24-,25-,29-,30-,31-,32-,35+,36+,37+,38+,39-,40-,41-,43+,45+,46-,47+,48-/m1/s1 |
InChI Key | OGYLVIPYHRICTN-RTNTZBHJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C48H56O27 |
Molecular Weight | 1064.90 g/mol |
Exact Mass | 1064.30089651 g/mol |
Topological Polar Surface Area (TPSA) | 441.00 Ų |
XlogP | -2.90 |
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 | 99.55% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.83% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.32% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.19% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 98.01% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.35% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.80% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.87% | 96.09% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.83% | 95.64% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.54% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.89% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.08% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.09% | 97.36% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.12% | 94.75% |
CHEMBL3194 | P02766 | Transthyretin | 85.85% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.95% | 95.78% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.52% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.04% | 97.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.48% | 86.92% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.27% | 90.71% |
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.
Drimia indica |
PubChem | 163062986 |
LOTUS | LTS0227804 |
wikiData | Q105191932 |