9alpha,11-Dihydroxydrim-7-en-6-one

Details

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Internal ID 4d0889b9-6990-4b2a-8d45-2129f0c21210
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
IUPAC Name (4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,12,16,18H,5-7,9H2,1-4H3/t12-,14-,15+/m0/s1
InChI Key CKASNEFFHUIZEG-AEGPPILISA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O3
Molecular Weight 252.35 g/mol
Exact Mass 252.17254462 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 1.60

Synonyms

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127681-58-7
(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
9|A,11-Dihydroxydrim-7-en-6-one
MLS000876786
MEGxm0_000034
CHEMBL1900011
ACon0_000569
ACon1_001303
DTXSID201347667
HMS2270I14
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 9alpha,11-Dihydroxydrim-7-en-6-one

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 95.11% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.75% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.40% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.42% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.93% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.37% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 85.51% 94.75%
CHEMBL1871 P10275 Androgen Receptor 83.90% 96.43%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.29% 86.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.11% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.04% 95.89%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.45% 85.14%

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 14489281
LOTUS LTS0103500
wikiData Q104962047