6-(2-Hydroxyethyl)-1-methoxy-2,2,5,7-tetramethyl-1,3-dihydroinden-4-ol

Details

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Internal ID d5754351-2de8-4311-82c5-8f5411d7bca3
Taxonomy Benzenoids > Indanes
IUPAC Name 6-(2-hydroxyethyl)-1-methoxy-2,2,5,7-tetramethyl-1,3-dihydroinden-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H24O3/c1-9-11(6-7-17)10(2)14(18)12-8-16(3,4)15(19-5)13(9)12/h15,17-18H,6-8H2,1-5H3
InChI Key OCWNKEZMOMOVTR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H24O3
Molecular Weight 264.36 g/mol
Exact Mass 264.17254462 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(2-Hydroxyethyl)-1-methoxy-2,2,5,7-tetramethyl-1,3-dihydroinden-4-ol

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
CHEMBL240 Q12809 HERG 99.55% 89.76%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.96% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.32% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.19% 97.25%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 89.90% 91.79%
CHEMBL1937 Q92769 Histone deacetylase 2 87.41% 94.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.84% 97.09%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.74% 86.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.66% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.65% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.00% 94.45%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 82.50% 91.03%
CHEMBL2996 Q05655 Protein kinase C delta 82.30% 97.79%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 82.20% 95.34%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.89% 92.68%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.38% 94.00%

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 162984699
LOTUS LTS0186959
wikiData Q104193245