Betulinic acid 3beta-O-alpha-L-rhamnopyranosyl
| Internal ID | d78cc9eb-a7ed-4737-960c-e47e908f9fd1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 9-[4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-41-38(63-39-36(54)34(52)31(49)22(3)59-39)33(51)26(20-58-41)61-40-37(55)35(53)32(50)25(19-48)60-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57) |
| InChI Key | WOOPUJXMROOOPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H76O16 |
| Molecular Weight | 897.10 g/mol |
| Exact Mass | 896.51333633 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 4.00 |
| YIB78487 |
| Betulinic acid 3beta-O-alpha-L-rhamnopyranosyl |
| B0005-465772 |
| 3(2)-O-+/--L-Rhamnopyranosyl-(1dagger'2)-[(2)-D-glucopyranosyl-(1dagger'4)]-+/--L-arabinopyranoside Betulinic Acid |
| Lup-20(29)-en-28-oic acid, 3-[ D-glucopyranosyl(1 L4)[ L-rhamnopyranosyl) (1 L2)-L-arabinopyranosyl]oxy], (3,4)-) |
| 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 |
|---|---|---|---|---|
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.59% | 97.36% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.65% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.02% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 89.12% | 97.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.75% | 91.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.23% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.23% | 97.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.34% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.09% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.07% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.64% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.61% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.55% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.29% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.96% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.48% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.15% | 95.93% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.43% | 82.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.41% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.26% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.82% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.12% | 95.50% |
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.
| Pulsatilla cernua |
| PubChem | 73049603 |
| LOTUS | LTS0220460 |
| wikiData | Q105309625 |