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Staunoside D

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 a2222b3e-623f-4d88-8b34-65147913ddc2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins
IUPAC Name [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SMILES (Canonical) CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)C
SMILES (Isomeric) CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)C
InChI InChI=1S/C60H98O29/c1-55(2)13-15-60(54(79)89-52-46(78)42(74)37(69)30(85-52)22-80-49-43(75)39(71)34(66)26(18-61)81-49)16-14-58(5)24(25(60)17-55)7-8-32-56(3)11-10-33(57(4,23-65)31(56)9-12-59(32,58)6)86-53-48(88-51-45(77)41(73)36(68)28(20-63)83-51)47(38(70)29(21-64)84-53)87-50-44(76)40(72)35(67)27(19-62)82-50/h7,25-53,61-78H,8-23H2,1-6H3
InChI Key RHHBVUMTZVPZLL-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C60H98O29
Molecular Weight 1283.40 g/mol
Exact Mass 1282.61937708 g/mol
Topological Polar Surface Area (TPSA) 474.00 Ų
XlogP -2.50

Synonyms

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155661-20-4
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
3-O-Glucopyranosyl-1-2-(glucopyranosyl(1-3))-glucopyranosyl-hederagenin 28-O-(glucopyranosyl-1-6-glucopyranosyl) ester

2D Structure

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2D Structure of Staunoside D

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 97.60% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.02% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.89% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.82% 97.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.90% 95.17%
CHEMBL5255 O00206 Toll-like receptor 4 87.32% 92.50%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 86.71% 95.50%
CHEMBL3714130 P46095 G-protein coupled receptor 6 86.01% 97.36%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.71% 89.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 85.39% 96.77%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.00% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.45% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.95% 95.89%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.98% 94.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.16% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.07% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.83% 86.92%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.29% 96.90%

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.
Stauntonia hexaphylla

Cross-Links

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PubChem 190814
LOTUS LTS0224846
wikiData Q105236358