Albizoside A
| Internal ID | efced3f0-5279-462e-ac14-2d2a7f8d4350 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2E,6S)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C118H186O56/c1-20-112(14,172-104-87(145)76(134)68(126)49(5)154-104)35-25-28-55(42-120)98(150)166-95-80(138)70(128)51(7)156-108(95)174-114(16,22-3)33-23-26-48(4)96(148)165-90-52(8)158-105(88(146)82(90)140)173-113(15,21-2)34-24-27-54(41-119)97(149)163-67-40-118(109(151)171-107-94(81(139)73(131)60(44-122)161-107)170-103-89(147)92(168-102-86(144)77(135)72(130)59(43-121)159-102)91(53(9)157-103)167-101-84(142)74(132)61(45-123)160-101)57(38-110(67,10)11)56-29-30-64-115(17)36-32-66(111(12,13)63(115)31-37-116(64,18)117(56,19)39-65(118)125)164-100-85(143)78(136)75(133)62(162-100)47-153-106-93(79(137)69(127)50(6)155-106)169-99-83(141)71(129)58(124)46-152-99/h20-22,26-29,49-53,57-95,99-108,119-147H,1-3,23-25,30-47H2,4-19H3/b48-26+,54-27+,55-28+/t49-,50-,51-,52-,53+,57+,58-,59-,60-,61+,62-,63+,64-,65-,66+,67+,68-,69+,70-,71+,72-,73-,74+,75-,76+,77+,78+,79+,80+,81+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93-,94-,95-,99+,100+,101+,102+,103+,104+,105+,106-,107+,108+,112-,113-,114-,115+,116-,117-,118-/m1/s1 |
| InChI Key | HURMKHBJYJPKHH-UTEFUEFASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C118H186O56 |
| Molecular Weight | 2500.70 g/mol |
| Exact Mass | 2500.1740294 g/mol |
| Topological Polar Surface Area (TPSA) | 867.00 Ų |
| XlogP | -3.90 |
| CHEBI:65379 |
| CHEMBL564590 |
| 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 | 99.61% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.80% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.60% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.38% | 97.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.25% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 92.40% | 95.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.73% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.15% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.84% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.84% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.01% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.58% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.32% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 86.99% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.79% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.28% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.27% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.42% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.03% | 96.43% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.35% | 91.07% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.23% | 85.31% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.31% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.03% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.86% | 97.21% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.95% | 93.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.76% | 83.57% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.68% | 97.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.31% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.99% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.76% | 97.78% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.14% | 100.00% |
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.
| Albizia chinensis |
| PubChem | 42639814 |
| LOTUS | LTS0081647 |
| wikiData | Q27133824 |