2-(3-Methoxy-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

Details

Top
Internal ID 91dbf7e6-0979-48ed-b531-be99f1dc9402
Taxonomy Benzenoids > Tetralins
IUPAC Name 2-(3-methoxy-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(17-3)14(8-13(10)12)11(2)9-16/h7-8,10-11,16H,4-6,9H2,1-3H3
InChI Key WXZZUVOODPQACK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H22O2
Molecular Weight 234.33 g/mol
Exact Mass 234.161979940 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 3.50

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-(3-Methoxy-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.36% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.04% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.46% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.15% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.07% 97.09%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.65% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.37% 95.89%
CHEMBL5203 P33316 dUTP pyrophosphatase 87.92% 99.18%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.00% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.40% 94.45%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.56% 92.94%
CHEMBL213 P08588 Beta-1 adrenergic receptor 85.20% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.36% 95.89%
CHEMBL4581 P52732 Kinesin-like protein 1 84.19% 93.18%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.95% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.41% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.49% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.66% 90.71%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.01% 89.50%

Plants that contains it

Top
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

Top
PubChem 163047232
LOTUS LTS0064970
wikiData Q104200736