panaxoside A progenin

Details

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Internal ID 46992bb0-f19a-47cc-8a01-0d348a487008
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name 2-(hydroxymethyl)-6-[6-methyl-2-(3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-5-en-2-yl]oxyoxane-3,4,5-triol
SMILES (Canonical) CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C
SMILES (Isomeric) CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C
InChI InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3
InChI Key XNGXWSFSJIQMNC-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C36H62O9
Molecular Weight 638.90 g/mol
Exact Mass 638.43938355 g/mol
Topological Polar Surface Area (TPSA) 160.00 Ų
XlogP 4.30

Synonyms

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panaxoside A progenin
SCHEMBL21297623
SY068854
(3|A,6|A,12|A)-3,6,12-trihydroxydammar-24-en-20-yl |A-D-glucopyranoside

2D Structure

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2D Structure of panaxoside A progenin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 97.96% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.17% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.14% 97.09%
CHEMBL226 P30542 Adenosine A1 receptor 94.43% 95.93%
CHEMBL218 P21554 Cannabinoid CB1 receptor 93.14% 96.61%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.84% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.24% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.95% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.32% 86.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 89.14% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.47% 94.45%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.13% 92.94%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.68% 82.69%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.56% 97.14%
CHEMBL3714130 P46095 G-protein coupled receptor 6 83.05% 97.36%
CHEMBL2581 P07339 Cathepsin D 82.47% 98.95%
CHEMBL259 P32245 Melanocortin receptor 4 82.38% 95.38%
CHEMBL1977 P11473 Vitamin D receptor 81.93% 99.43%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.27% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 80.69% 97.79%
CHEMBL5888 Q99558 Mitogen-activated protein kinase kinase kinase 14 80.61% 100.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.28% 96.90%
CHEMBL1937 Q92769 Histone deacetylase 2 80.18% 94.75%

Plants that contains it

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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.
Gynostemma yixingense
Panax ginseng
Panax notoginseng

Cross-Links

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PubChem 12855923
LOTUS LTS0097966
wikiData Q105331648