Platyconic acid B
Internal ID | 2d2d45e6-1ea4-427f-a7cb-b7a5902effa1 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | (2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-acetyloxy-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)OC(=O)C)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@]7(CO)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)OC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O |
InChI | InChI=1S/C59H92O30/c1-23-40(85-46-38(72)41(29(66)19-79-46)86-50-44(74)57(78,20-61)22-81-50)42(83-24(2)63)39(73)48(82-23)87-43-34(68)28(65)18-80-49(43)89-52(77)58-13-12-53(3,4)14-26(58)25-8-9-31-54(5)15-27(64)45(88-47-37(71)36(70)35(69)30(17-60)84-47)59(21-62,51(75)76)32(54)10-11-55(31,6)56(25,7)16-33(58)67/h8,23,26-50,60-62,64-74,78H,9-22H2,1-7H3,(H,75,76)/t23-,26-,27-,28-,29+,30+,31+,32+,33+,34-,35+,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+,55+,56+,57+,58+,59+/m0/s1 |
InChI Key | PLRQGYABNOAMAF-UYUIBFHNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C59H92O30 |
Molecular Weight | 1281.30 g/mol |
Exact Mass | 1280.56734151 g/mol |
Topological Polar Surface Area (TPSA) | 476.00 Ų |
XlogP | -3.20 |
1256935-28-0 |
3''-O-acetyl-platyconic acid A |
AKOS040761109 |
FS-7695 |
3''-O-acetyl-platyconic acid A (Platyconic acid B) |

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 | 98.71% | 91.11% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.63% | 95.17% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.26% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.66% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.60% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.86% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.20% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.10% | 96.77% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.24% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.38% | 94.00% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.48% | 89.44% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.37% | 99.23% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.98% | 86.92% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.54% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 86.68% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.58% | 97.09% |
CHEMBL5028 | O14672 | ADAM10 | 86.30% | 97.50% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.18% | 97.25% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.72% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.68% | 89.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.52% | 94.33% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 85.52% | 95.52% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.41% | 93.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.00% | 95.93% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.80% | 91.24% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.07% | 91.07% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.27% | 87.67% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.98% | 95.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.94% | 95.89% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.69% | 97.86% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.25% | 81.11% |
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.
Platycodon grandiflorus |
PubChem | 101495504 |
LOTUS | LTS0221916 |
wikiData | Q105211169 |