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Gymnemagenin

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 ef35ed4b-9907-48ad-9721-f9ec419c350e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
SMILES (Canonical) CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C
SMILES (Isomeric) C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)CO)O
InChI InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22-,23-,24-,26-,27-,28+,29+,30-/m0/s1
InChI Key VKJLHZZPVLQJKG-ABHKXHSUSA-N
Popularity 13 references in papers

Physical and Chemical Properties

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Molecular Formula C30H50O6
Molecular Weight 506.70 g/mol
Exact Mass 506.36073931 g/mol
Topological Polar Surface Area (TPSA) 121.00 Ų
XlogP 4.00

Synonyms

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22467-07-8
UNII-U396WHT2FZ
U396WHT2FZ
(3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
GYMNEMAGENIN (USP-RS)
GYMNEMAGENIN [USP-RS]
Olean-12-ene-3beta,16beta,21beta,22alpha,23,28-hexol
SCHEMBL4324523
Gymnemagenin, analytical standard
HY-N2268
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Gymnemagenin

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
CHEMBL3137262 O60341 LSD1/CoREST complex 93.00% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.14% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.84% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.72% 95.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.77% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 86.65% 95.93%
CHEMBL221 P23219 Cyclooxygenase-1 86.39% 90.17%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.67% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.16% 100.00%
CHEMBL2916 O14746 Telomerase reverse transcriptase 83.61% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.44% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.89% 97.25%
CHEMBL4208 P20618 Proteasome component C5 80.82% 90.00%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 80.23% 91.65%

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.
Gymnema sylvestre

Cross-Links

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PubChem 10051937
LOTUS LTS0076599
wikiData Q27290632