Magnoloside C
Internal ID | 4ed787d7-aea5-4fbc-b584-4ea6345c17d5 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O |
InChI | InChI=1S/C41H56O25/c1-15-26(49)29(52)32(55)39(60-15)66-37-36(64-25(48)7-4-16-2-5-18(44)20(46)10-16)28(51)24(63-41(37)58-9-8-17-3-6-19(45)21(47)11-17)14-59-38-34(57)31(54)35(23(13-43)62-38)65-40-33(56)30(53)27(50)22(12-42)61-40/h2-7,10-11,15,22-24,26-47,49-57H,8-9,12-14H2,1H3/b7-4+ |
InChI Key | GICILYIKUQJYMI-QPJJXVBHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C41H56O25 |
Molecular Weight | 948.90 g/mol |
Exact Mass | 948.31106727 g/mol |
Topological Polar Surface Area (TPSA) | 404.00 Ų |
XlogP | -4.20 |
CHEBI:81270 |
C17680 |
Q27155211 |
[2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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 | 99.71% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.65% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.64% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.19% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.90% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.77% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.58% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 93.31% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.62% | 86.92% |
CHEMBL2581 | P07339 | Cathepsin D | 92.50% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.81% | 99.17% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 89.26% | 80.78% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 87.08% | 95.93% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.71% | 97.36% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.77% | 96.37% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.12% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.98% | 95.56% |
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.
Magnolia obovata |
PubChem | 14018786 |
LOTUS | LTS0026207 |
wikiData | Q27155211 |