(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

Details

Top
Internal ID 11c544c9-fb19-42bb-91aa-141961daaf33
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILES (Canonical) CC1C2=C(C(=C(C=C2CCN1)OC)OC)O
SMILES (Isomeric) C[C@H]1C2=C(C(=C(C=C2CCN1)OC)OC)O
InChI InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3/t7-/m0/s1
InChI Key PRNZAMQMBOFSJY-ZETCQYMHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C12H17NO3
Molecular Weight 223.27 g/mol
Exact Mass 223.12084340 g/mol
Topological Polar Surface Area (TPSA) 50.70 Ų
XlogP 1.30

Synonyms

Top
17627-77-9
23XP4B16AN
(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
ANHALONIDINE [MI]
(+)-ANHALONIDINE
ANHALONIDINE, (+)-
SCHEMBL9852535
DTXSID60876920
6,7-dimethoxy-8-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
AKOS000277780
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.51% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.57% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 93.89% 92.94%
CHEMBL213 P08588 Beta-1 adrenergic receptor 92.72% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.19% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.39% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.20% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.89% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.88% 86.33%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 85.62% 91.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.15% 99.17%
CHEMBL2535 P11166 Glucose transporter 84.10% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.00% 94.45%
CHEMBL4208 P20618 Proteasome component C5 81.90% 90.00%
CHEMBL2056 P21728 Dopamine D1 receptor 81.47% 91.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 80.46% 92.68%
CHEMBL217 P14416 Dopamine D2 receptor 80.46% 95.62%
CHEMBL3438 Q05513 Protein kinase C zeta 80.39% 88.48%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.10% 95.89%

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.
Gymnocalycium bodenbenderianum
Gymnocalycium monvillei
Lophophora williamsii
Pachycereus weberi
Turbinicarpus pseudopectinatus
Vachellia rigidula

Cross-Links

Top
PubChem 87201
LOTUS LTS0058901
wikiData Q105213836