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LucidoneB

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 ddb15141-0788-4449-b389-d09ff6142f7a
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 20-oxosteroids
IUPAC Name (5R,7S,10S,13R,14R,17S)-17-acetyl-7-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3/t13-,14+,16+,22+,23-,24+/m1/s1
InChI Key AJULRUMEMZKBQI-YZISURJTSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C24H32O5
Molecular Weight 400.50 g/mol
Exact Mass 400.22497412 g/mol
Topological Polar Surface Area (TPSA) 88.50 Ų
XlogP 0.90

Synonyms

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LucidoneB
97653-93-5
DTXSID701171033
HY-N7977
AKOS040760530
CS-0138910
(5alpha,7beta)-7-Hydroxy-4,4,14-trimethylpregn-8-ene-3,11,15,20-tetrone

2D Structure

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2D Structure of LucidoneB

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
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 94.79% 85.30%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.13% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.84% 96.09%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 90.29% 88.84%
CHEMBL340 P08684 Cytochrome P450 3A4 90.02% 91.19%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.30% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.18% 94.45%
CHEMBL2581 P07339 Cathepsin D 88.70% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.56% 100.00%
CHEMBL1914 P06276 Butyrylcholinesterase 84.88% 95.00%
CHEMBL1937 Q92769 Histone deacetylase 2 84.03% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.95% 95.56%
CHEMBL259 P32245 Melanocortin receptor 4 82.28% 95.38%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.11% 93.04%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.99% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 80.62% 97.79%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.43% 93.03%

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.
There are no matching plants.

Cross-Links

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PubChem 14109412
LOTUS LTS0034784
wikiData Q104913404