Isoquinoline, 1,2,3,4-tetrahydro-5,6,7,8-tetramethoxy-

Details

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Internal ID 0ec606ec-9c6f-4256-a8d1-c69aa0687402
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name 5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H19NO4/c1-15-10-8-5-6-14-7-9(8)11(16-2)13(18-4)12(10)17-3/h14H,5-7H2,1-4H3
InChI Key OPCOVGPGIKKXAT-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C13H19NO4
Molecular Weight 253.29 g/mol
Exact Mass 253.13140809 g/mol
Topological Polar Surface Area (TPSA) 49.00 Ų
XlogP 1.20

Synonyms

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CHEMBL1190614
OPCOVGPGIKKXAT-UHFFFAOYSA-N
BDBM50014655
5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydroisoquinoline #
Isoquinoline, 1,2,3,4-tetrahydro-5,6,7,8-tetramethoxy-
5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydro-isoquinoline; hydrochloride (Norweberine)

2D Structure

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2D Structure of Isoquinoline, 1,2,3,4-tetrahydro-5,6,7,8-tetramethoxy-

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 91.10% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.44% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.59% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.62% 93.99%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.04% 85.30%

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 613852
LOTUS LTS0071343
wikiData Q105195973