(18S)-18-O-B-d-Glucopyranosyl-(1-2)-B-d-glucopyranosyl-(1-2)--d-glucopyranoside of protoconstipaticacid
| Internal ID | 2aaa2266-dab3-4d48-8cad-eb8a96cccf67 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R)-2-[(14S)-14-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid |
| SMILES (Canonical) | CC(CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-38-33(30(47)27(44)23(17-41)56-38)59-39-34(31(48)28(45)24(18-42)57-39)58-37-32(49)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21-,22?,23?,24?,25+,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?/m0/s1 |
| InChI Key | GNGQUXHQTURVQQ-UQOOWDQCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H66O20 |
| Molecular Weight | 854.90 g/mol |
| Exact Mass | 854.41474449 g/mol |
| Topological Polar Surface Area (TPSA) | 321.00 Ų |
| XlogP | 1.30 |
| 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 | 96.21% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.18% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.22% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.07% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.26% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.13% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.68% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.20% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.36% | 96.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.80% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.55% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.10% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.98% | 94.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.82% | 97.79% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.22% | 94.62% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.66% | 97.36% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.04% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.86% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.78% | 83.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.77% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 139586052 |
| LOTUS | LTS0075209 |
| wikiData | Q77497812 |