2,3,4,9-Tetrahydro-6-hydroxy-1H-pyrido(3,4-b)indol-1-one

Details

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Internal ID d9c0641c-03ff-45e2-8ca8-69c70c6906a1
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
IUPAC Name 6-hydroxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)
InChI Key WNGPRJOWLUNBCE-UHFFFAOYSA-N
Popularity 10 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10N2O2
Molecular Weight 202.21 g/mol
Exact Mass 202.074227566 g/mol
Topological Polar Surface Area (TPSA) 65.10 Ų
XlogP 1.30

Synonyms

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EINECS 256-961-3
2,3,4,9-Tetrahydro-6-hydroxy-1H-pyrido(3,4-b)indol-1-one
6-hydroxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
2,3,4,9-Tetrahydro-6-hydroxy-1H-pyrido[3,4-b]indol-1-one
CHEMBL397215
6-hydroxy-3,4-dihydro-1-oxo-beta-carboline
Q2S3LRG4YH
SCHEMBL1655185
DTXSID00199089
WNGPRJOWLUNBCE-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3,4,9-Tetrahydro-6-hydroxy-1H-pyrido(3,4-b)indol-1-one

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.05% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.26% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.81% 94.45%
CHEMBL2535 P11166 Glucose transporter 94.24% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.06% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 90.91% 98.59%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.36% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.28% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.49% 93.99%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 89.09% 96.00%
CHEMBL2581 P07339 Cathepsin D 88.32% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 85.80% 94.75%
CHEMBL5443 O00311 Cell division cycle 7-related protein kinase 84.93% 96.11%
CHEMBL3310 Q96DB2 Histone deacetylase 11 83.31% 88.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.25% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.16% 97.09%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 81.95% 93.24%
CHEMBL4040 P28482 MAP kinase ERK2 81.92% 83.82%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.80% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.02% 96.09%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.37% 93.10%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 6452337
LOTUS LTS0085896
wikiData Q83071988