Luzodiol

Details

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Internal ID 74c0a438-623d-485f-a7c2-8e66bf732951
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,2S,3S,4S)-4-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-1,3-dimethyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H35BrO2/c1-7-18(4,22)13-10-16-19(5,12-8-9-15(2)3)17(21)11-14-20(16,6)23/h7,9,16-17,22-23H,1,8,10-14H2,2-6H3/t16-,17-,18?,19-,20+/m0/s1
InChI Key YQCSNTCEUMEKDO-XIBWBMNSSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C20H35BrO2
Molecular Weight 387.40 g/mol
Exact Mass 386.18204 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 5.20

Synonyms

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CHEMBL3577690
(1R,2S,3S,4S)-4-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-1,3-dimethyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol

2D Structure

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2D Structure of Luzodiol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.74% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 94.90% 94.75%
CHEMBL2581 P07339 Cathepsin D 90.81% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.99% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.81% 91.11%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 88.67% 90.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.53% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.95% 96.95%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 87.75% 91.24%
CHEMBL284 P27487 Dipeptidyl peptidase IV 86.89% 95.69%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.50% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.15% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.83% 92.94%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.56% 93.03%
CHEMBL1871 P10275 Androgen Receptor 82.96% 96.43%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.90% 96.47%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.27% 89.34%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.17% 96.90%
CHEMBL1902 P62942 FK506-binding protein 1A 80.97% 97.05%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 80.59% 85.94%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.33% 91.07%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 80.28% 97.47%

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 11596193
LOTUS LTS0027919
wikiData Q104401062