(R)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol

Details

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Internal ID f8b38fd3-8262-4d45-8040-d09c94ddd03f
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name (4R)-2-methyl-3,4-dihydro-1H-isoquinoline-4,8-diol
SMILES (Canonical) CN1CC(C2=C(C1)C(=CC=C2)O)O
SMILES (Isomeric) CN1C[C@@H](C2=C(C1)C(=CC=C2)O)O
InChI InChI=1S/C10H13NO2/c1-11-5-8-7(10(13)6-11)3-2-4-9(8)12/h2-4,10,12-13H,5-6H2,1H3/t10-/m0/s1
InChI Key BVGIYKRHRXZGIO-JTQLQIEISA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H13NO2
Molecular Weight 179.22 g/mol
Exact Mass 179.094628657 g/mol
Topological Polar Surface Area (TPSA) 43.70 Ų
XlogP 0.30

Synonyms

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(R)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
57236-57-4

2D Structure

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2D Structure of (R)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol

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 96.02% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.32% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 93.81% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.12% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.47% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.44% 93.40%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.52% 93.65%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.12% 93.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.09% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.36% 91.11%

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.
Mammillaria longimamma

Cross-Links

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PubChem 92469131
LOTUS LTS0099481
wikiData Q104946542