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Gifhornenolone A

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 976a8ac2-52ae-4b6b-a2c1-3304275f7a75
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name (1R,4aS,7R,10aS)-7-ethenyl-1-(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydro-1H-phenanthren-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H28O2/c1-4-18(2)8-7-17-13(10-18)5-6-16-14(12-20)9-15(21)11-19(16,17)3/h4,10,14,16-17,20H,1,5-9,11-12H2,2-3H3/t14-,16-,17?,18-,19-/m0/s1
InChI Key IHPHTXNABFCIOO-FXHFVGKVSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H28O2
Molecular Weight 288.40 g/mol
Exact Mass 288.208930132 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 3.50

Synonyms

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RefChem:922206
(1R,4aS,4bS,7R,10aS)-7-ethenyl-1-(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydro-1H-phenanthren-3-one
CHEBI:214572
(1R,4aS,7R,10aS)-7-ethenyl-1-(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydro-1H-phenanthren-3-one

2D Structure

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2D Structure of Gifhornenolone A

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 96.32% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.81% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.62% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.34% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.01% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.14% 95.89%
CHEMBL2581 P07339 Cathepsin D 85.82% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 85.75% 94.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.34% 94.45%
CHEMBL1902 P62942 FK506-binding protein 1A 84.98% 97.05%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.20% 86.33%
CHEMBL1977 P11473 Vitamin D receptor 80.66% 99.43%

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 139586021
LOTUS LTS0052266
wikiData Q77497092