Verminoside
Internal ID | 0e3a42fe-54f4-4f5d-b5c3-a725b4f3356f |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O |
SMILES (Isomeric) | C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
InChI | InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 |
InChI Key | MZQXNUBTVLKMLP-QOEJBJAYSA-N |
Popularity | 12 references in papers |
Molecular Formula | C24H28O13 |
Molecular Weight | 524.50 g/mol |
Exact Mass | 524.15299094 g/mol |
Topological Polar Surface Area (TPSA) | 208.00 Ų |
XlogP | -1.30 |
50932-19-9 |
[(1aS)-6alpha-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1a-hydroxymethyloxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside |
[(1S,2S,4S,5S,6R,10S)-2-(Hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
CHEBI:69799 |
DTXSID901318249 |
HY-N1094 |
AKOS040740529 |
FS-9941 |
NCGC00385664-01 |
XV171960 |
There are more than 10 synonyms. If you wish to see them all click here. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha |
348 nM |
Kd |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.87% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.77% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.45% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.33% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.36% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 91.22% | 90.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.22% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.36% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.88% | 94.73% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.08% | 80.78% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.98% | 94.23% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.57% | 94.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.44% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.11% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.31% | 86.92% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.36% | 94.08% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.45% | 99.15% |
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.
PubChem | 12000883 |
LOTUS | LTS0209701 |
wikiData | Q27138140 |