Ganoleuconin G

Details

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Internal ID 4d9957c2-5a1e-4b0c-a307-3e437a54cfe3
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (5R,7S,10S,13R,14R,17R)-7-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
SMILES (Canonical) CC(CCC=C(CO)CO)C1CCC2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
SMILES (Isomeric) C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C
InChI InChI=1S/C30H46O5/c1-18(8-7-9-19(16-31)17-32)20-10-13-29(5)26-21(33)14-23-27(2,3)24(35)11-12-28(23,4)25(26)22(34)15-30(20,29)6/h9,18,20-21,23,31-33H,7-8,10-17H2,1-6H3/t18-,20-,21+,23+,28+,29+,30-/m1/s1
InChI Key QDYKZRXXERLQAX-CBKWXKALSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C30H46O5
Molecular Weight 486.70 g/mol
Exact Mass 486.33452456 g/mol
Topological Polar Surface Area (TPSA) 94.80 Ų
XlogP 3.90

Synonyms

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Ganoleuconin G
BDBM50104760

2D Structure

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2D Structure of Ganoleuconin 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
CHEMBL1937 Q92769 Histone deacetylase 2 95.33% 94.75%
CHEMBL2581 P07339 Cathepsin D 93.98% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.34% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.16% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 91.88% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.68% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.28% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.45% 95.56%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.23% 82.69%
CHEMBL325 Q13547 Histone deacetylase 1 85.92% 95.92%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.46% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.19% 90.08%
CHEMBL226 P30542 Adenosine A1 receptor 84.96% 95.93%
CHEMBL2996 Q05655 Protein kinase C delta 84.62% 97.79%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.17% 93.04%
CHEMBL299 P17252 Protein kinase C alpha 84.10% 98.03%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.08% 99.23%
CHEMBL340 P08684 Cytochrome P450 3A4 82.47% 91.19%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.13% 91.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.93% 93.56%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.26% 91.07%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.23% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 122182457
LOTUS LTS0109853
wikiData Q77378256