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Mimengoside G

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 304b4bc8-64ae-4d24-a563-6dc8241814c6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aS,6bR,8aS,12aS,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C47H76O16/c1-23-31(52)38(63-40-35(56)33(54)37(27(19-48)60-40)62-39-34(55)32(53)26(51)20-58-39)36(57)41(59-23)61-30-11-12-43(4)28(44(30,5)21-49)10-13-46(7)29(43)9-8-24-25-18-42(2,3)14-16-47(25,22-50)17-15-45(24,46)6/h8-9,23,25-28,30-41,48-57H,10-22H2,1-7H3/t23-,25+,26-,27-,28-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1
InChI Key NBOLTJBFBQWADJ-IQWBYJDBSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C47H76O16
Molecular Weight 897.10 g/mol
Exact Mass 896.51333633 g/mol
Topological Polar Surface Area (TPSA) 258.00 Ų
XlogP 1.30

Synonyms

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(2S,3R,4S,5R)-2-((2R,3S,4R,5R,6S)-6-((2R,3R,4S,5S,6R)-2-(((3S,4R,4aR,6aS,6bR,8aS,12aS,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl)oxy)-3,5-dihydroxy-6-methyloxan-4-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol
(2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aS,6bR,8aS,12aS,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
RefChem:158924
664345-06-6
CHEMBL450550

2D Structure

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2D Structure of Mimengoside G

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 97.85% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.40% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.01% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 90.84% 95.93%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.45% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.40% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.86% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.78% 95.89%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.40% 86.92%
CHEMBL3714130 P46095 G-protein coupled receptor 6 85.97% 97.36%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.40% 100.00%
CHEMBL2581 P07339 Cathepsin D 84.63% 98.95%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.91% 95.83%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.79% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.16% 95.56%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.75% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.54% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.25% 92.62%

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.
Buddleja officinalis

Cross-Links

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PubChem 44566641
NPASS NPC473734
ChEMBL CHEMBL450550
LOTUS LTS0058749
wikiData Q105176893