11-Methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-3-ol

Details

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Internal ID ac809afd-8d70-4564-98d7-82fffa5c227f
Taxonomy Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
IUPAC Name 11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H14O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-4,7,10,12-13H,5-6H2,1H3
InChI Key ORAZICTVJWVQCF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H14O3
Molecular Weight 206.24 g/mol
Exact Mass 206.094294304 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-Methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-3-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.65% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.11% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.98% 93.99%
CHEMBL1951 P21397 Monoamine oxidase A 89.57% 91.49%
CHEMBL2581 P07339 Cathepsin D 89.44% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.40% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.06% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.35% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.57% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.96% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.60% 86.33%
CHEMBL217 P14416 Dopamine D2 receptor 80.88% 95.62%

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 162885230
LOTUS LTS0099893
wikiData Q104193652