Dianversicoside A
| Internal ID | 60d4178c-7d70-4f94-827b-e41e1849cba8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | (3S)-5-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H94O30/c1-54(2)14-15-60(25(16-54)24-8-9-30-56(4)12-11-32(63)59(7,31(56)10-13-57(30,5)58(24,6)17-33(60)64)52(79)89-49-45(77)41(73)37(69)27(21-62)85-49)53(80)90-50-46(78)42(74)38(70)29(86-50)23-83-51-47(88-48-44(76)40(72)36(68)26(20-61)84-48)43(75)39(71)28(87-51)22-82-35(67)19-55(3,81)18-34(65)66/h8,25-33,36-51,61-64,68-78,81H,9-23H2,1-7H3,(H,65,66)/t25-,26+,27+,28+,29+,30+,31+,32-,33+,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60+/m0/s1 |
| InChI Key | IJSZPFMPQUDYPI-FYIVALIFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C60H94O30 |
| Molecular Weight | 1295.40 g/mol |
| Exact Mass | 1294.58299158 g/mol |
| Topological Polar Surface Area (TPSA) | 495.00 Ų |
| XlogP | -2.20 |
| CHEBI:65755 |
| 23-O-beta-D-glucopyranosyl-3beta,16alpha-dihydroxyolean-12-en-23alpha,28beta-dioic acid 28-O-{[beta-D-glucopyranosyl(1->2)][beta-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)]}-beta-D-glucopyranoside |
| 23-O-b-D-Glucopyranosyl-3b,16a-dihydroxyolean-12-en-23a,28b-dioate 28-O-((b-D-glucopyranosyl(1->2))(b-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)))-b-D-glucopyranoside |
| 23-O-b-D-Glucopyranosyl-3b,16a-dihydroxyolean-12-en-23a,28b-dioate 28-O-{[b-D-glucopyranosyl(1->2)][b-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)]}-b-D-glucopyranoside |
| 23-O-b-D-Glucopyranosyl-3b,16a-dihydroxyolean-12-en-23a,28b-dioic acid 28-O-((b-D-glucopyranosyl(1->2))(b-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)))-b-D-glucopyranoside |
| 23-O-b-D-Glucopyranosyl-3b,16a-dihydroxyolean-12-en-23a,28b-dioic acid 28-O-{[b-D-glucopyranosyl(1->2)][b-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)]}-b-D-glucopyranoside |
| 23-O-beta-D-Glucopyranosyl-3beta,16alpha-dihydroxyolean-12-en-23alpha,28beta-dioate 28-O-((beta-D-glucopyranosyl(1->2))(beta-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)))-beta-D-glucopyranoside |
| 23-O-beta-D-Glucopyranosyl-3beta,16alpha-dihydroxyolean-12-en-23alpha,28beta-dioate 28-O-{[beta-D-glucopyranosyl(1->2)][beta-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)]}-beta-D-glucopyranoside |
| 23-O-beta-D-Glucopyranosyl-3beta,16alpha-dihydroxyolean-12-en-23alpha,28beta-dioic acid 28-O-((beta-D-glucopyranosyl(1->2))(beta-D-6-O-((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1->6)))-beta-D-glucopyranoside |
| RefChem:132662 |
| 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 |
|---|---|---|---|---|---|
| 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 | 98.46% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.60% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.15% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.63% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.39% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.01% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.74% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.95% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.87% | 96.77% |
| CHEMBL5028 | O14672 | ADAM10 | 87.70% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.57% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.45% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.77% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.71% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.61% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.81% | 94.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.18% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.00% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.75% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.28% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.87% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.51% | 97.36% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.04% | 86.92% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.01% | 94.08% |
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 | 42639817 |
| LOTUS | LTS0129154 |
| wikiData | Q27134238 |