5,6,7-Trimethoxy-1,2,3,4-tetrahydroisoquinoline

Details

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Internal ID 9779c1c1-f080-444b-9706-c3656140e645
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H17NO3/c1-14-10-6-8-7-13-5-4-9(8)11(15-2)12(10)16-3/h6,13H,4-5,7H2,1-3H3
InChI Key HMJWNMXNHQIAGT-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H17NO3
Molecular Weight 223.27 g/mol
Exact Mass 223.12084340 g/mol
Topological Polar Surface Area (TPSA) 39.70 Ų
XlogP 1.20

Synonyms

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5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
Isoquinoline, 1,2,3,4-tetrahydro-5,6,7-trimethoxy-
NSC 113005
nortehuanine
NCIOpen2_005606
SCHEMBL27975495
DTXSID20296983
HMJWNMXNHQIAGT-UHFFFAOYSA-N
NSC113005
AKOS004901636
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5,6,7-Trimethoxy-1,2,3,4-tetrahydroisoquinoline

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.00% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.21% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.33% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.98% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.78% 97.09%
CHEMBL4208 P20618 Proteasome component C5 84.59% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.83% 94.45%
CHEMBL2598 P41743 Protein kinase C iota 83.17% 97.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.50% 94.00%
CHEMBL2056 P21728 Dopamine D1 receptor 81.42% 91.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.73% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.40% 99.17%

Plants that contains it

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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.
Pachycereus weberi

Cross-Links

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PubChem 270529
LOTUS LTS0097599
wikiData Q82037860