7-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalene

Details

Top
Internal ID 2379cd75-af0a-4fe1-9ae2-7762ee30db84
Taxonomy Benzenoids > Tetralins
IUPAC Name 7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILES (Canonical) CC1CCCC2=C1C=C(C=C2)OC
SMILES (Isomeric) CC1CCCC2=C1C=C(C=C2)OC
InChI InChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3
InChI Key KSWPMXHTZCMXBJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C12H16O
Molecular Weight 176.25 g/mol
Exact Mass 176.120115130 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 3.60

Synonyms

Top
KSWPMXHTZCMXBJ-UHFFFAOYSA-N
DTXSID101239572
1,2,3,4-Tetrahydro-7-methoxy-1-methylnaphthalene
7-methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalene
1201-39-4

2D Structure

Top
2D Structure of 7-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.00% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.49% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.63% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.96% 93.99%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.36% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.08% 95.89%
CHEMBL1951 P21397 Monoamine oxidase A 89.91% 91.49%
CHEMBL5203 P33316 dUTP pyrophosphatase 88.58% 99.18%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.16% 95.56%
CHEMBL4581 P52732 Kinesin-like protein 1 88.13% 93.18%
CHEMBL1907 P15144 Aminopeptidase N 87.28% 93.31%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.12% 92.62%
CHEMBL2581 P07339 Cathepsin D 83.94% 98.95%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.68% 100.00%
CHEMBL4208 P20618 Proteasome component C5 83.56% 90.00%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 83.31% 91.43%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.12% 86.33%
CHEMBL226 P30542 Adenosine A1 receptor 82.70% 95.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.81% 99.17%
CHEMBL3438 Q05513 Protein kinase C zeta 81.49% 88.48%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.38% 91.07%

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.
Grindelia hirsutula

Cross-Links

Top
PubChem 21636716
LOTUS LTS0187005
wikiData Q105145620