Ganoderic acid epsilon

Details

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Internal ID 4273462f-a612-4cf4-9b91-97ae962db3bc
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (E,4S,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21-22,31-32,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,19+,21+,22+,28+,29-,30+/m1/s1
InChI Key MIWGXXQCEDNROQ-UZOYOLKESA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C30H44O7
Molecular Weight 516.70 g/mol
Exact Mass 516.30870374 g/mol
Topological Polar Surface Area (TPSA) 132.00 Ų
XlogP 2.40

Synonyms

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294674-05-8
Ganoderic acid |A
Lanosta-8,24-dien-26-oic acid, 3,7,23-trihydroxy-11,15-dioxo-, (3beta,7beta,23S,24E)-
(E,4S,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-Dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid
(+)-Ganoderic acid epsilon
Ganoderic acid ??
CHEBI:168657
DTXSID701315063
HY-N9350
AKOS040758023
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Ganoderic acid epsilon

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
CHEMBL221 P23219 Cyclooxygenase-1 98.26% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.46% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.09% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.03% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.86% 94.45%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 90.69% 88.84%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.44% 97.09%
CHEMBL340 P08684 Cytochrome P450 3A4 89.87% 91.19%
CHEMBL1937 Q92769 Histone deacetylase 2 89.42% 94.75%
CHEMBL4227 P25090 Lipoxin A4 receptor 87.41% 100.00%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 86.58% 85.30%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.91% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.07% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.68% 97.79%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.19% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.62% 99.23%
CHEMBL238 Q01959 Dopamine transporter 81.04% 95.88%

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 15427810
LOTUS LTS0194844
wikiData Q77561046