ethyl ganoderenate D

Details

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Internal ID b1451fb6-8f60-4e1b-8c5a-d9575058772f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name ethyl (E)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H44O7/c1-9-39-28(38)18(3)13-19(33)12-17(2)20-14-25(37)32(8)27-21(34)15-23-29(4,5)24(36)10-11-30(23,6)26(27)22(35)16-31(20,32)7/h12,18,20-21,23,34H,9-11,13-16H2,1-8H3/b17-12+/t18?,20-,21+,23+,30+,31-,32+/m1/s1
InChI Key LIXJQWXQCCCUFA-GGTIBQPSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C32H44O7
Molecular Weight 540.70 g/mol
Exact Mass 540.30870374 g/mol
Topological Polar Surface Area (TPSA) 115.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of ethyl ganoderenate 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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.32% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.47% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.20% 98.95%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 94.50% 85.30%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.08% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 92.46% 94.75%
CHEMBL221 P23219 Cyclooxygenase-1 91.46% 90.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.76% 96.95%
CHEMBL340 P08684 Cytochrome P450 3A4 89.35% 91.19%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.31% 97.21%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.53% 95.56%
CHEMBL2996 Q05655 Protein kinase C delta 88.48% 97.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.34% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.01% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.65% 99.23%
CHEMBL1914 P06276 Butyrylcholinesterase 85.63% 95.00%
CHEMBL5028 O14672 ADAM10 85.19% 97.50%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.95% 91.07%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 83.36% 88.84%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 83.10% 97.50%
CHEMBL5103 Q969S8 Histone deacetylase 10 82.67% 90.08%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.55% 89.34%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 82.45% 91.24%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 82.10% 90.93%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.89% 95.50%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.71% 86.33%
CHEMBL299 P17252 Protein kinase C alpha 81.53% 98.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.71% 90.71%
CHEMBL230 P35354 Cyclooxygenase-2 80.07% 89.63%

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 139588476
LOTUS LTS0213915
wikiData Q105152405