10-Methylixoside
Internal ID | d57fc4fb-a8b1-4cd9-b590-a7bf61f57c78 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Iridoid O-glycosides |
IUPAC Name | (1S,4aS,7aS)-7-methoxycarbonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid |
SMILES (Canonical) | COC(=O)C1=CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | COC(=O)C1=CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C17H22O11/c1-25-15(24)7-3-2-6-8(14(22)23)5-26-16(10(6)7)28-17-13(21)12(20)11(19)9(4-18)27-17/h3,5-6,9-13,16-21H,2,4H2,1H3,(H,22,23)/t6-,9-,10+,11-,12+,13-,16+,17+/m1/s1 |
InChI Key | DKSFGHQZRXXSTP-VRZJFIGOSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C17H22O11 |
Molecular Weight | 402.30 g/mol |
Exact Mass | 402.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 172.00 Ų |
XlogP | -1.80 |
CHEMBL498245 |
![2D Structure of 10-Methylixoside 2D Structure of 10-Methylixoside](https://plantaedb.com/storage/docs/compounds/2023/11/10-methylixoside.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 | 97.47% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.24% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.81% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.68% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
CHEMBL5028 | O14672 | ADAM10 | 83.33% | 97.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.65% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.64% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 81.09% | 98.95% |
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.
Catunaregam spinosa |
PubChem | 44583802 |
LOTUS | LTS0196530 |
wikiData | Q104397558 |