6-Hydroxy-2,9-dihydropyrido[3,4-b]indol-1-one

Details

Top
Internal ID aec2e246-1149-426d-af6c-e53fe4d9bea8
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
IUPAC Name 6-hydroxy-2,9-dihydropyrido[3,4-b]indol-1-one
SMILES (Canonical) C1=CC2=C(C=C1O)C3=C(N2)C(=O)NC=C3
SMILES (Isomeric) C1=CC2=C(C=C1O)C3=C(N2)C(=O)NC=C3
InChI InChI=1S/C11H8N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-5,13-14H,(H,12,15)
InChI Key QWJCGSWHDROYHG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C11H8N2O2
Molecular Weight 200.19 g/mol
Exact Mass 200.058577502 g/mol
Topological Polar Surface Area (TPSA) 65.10 Ų
XlogP 1.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 6-Hydroxy-2,9-dihydropyrido[3,4-b]indol-1-one

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 97.23% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.56% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.36% 95.56%
CHEMBL213 P08588 Beta-1 adrenergic receptor 91.49% 95.56%
CHEMBL4040 P28482 MAP kinase ERK2 90.68% 83.82%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.61% 91.71%
CHEMBL3553 P29597 Tyrosine-protein kinase TYK2 90.45% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 90.00% 91.49%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.83% 93.40%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 88.32% 83.10%
CHEMBL2535 P11166 Glucose transporter 86.75% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.64% 89.00%
CHEMBL255 P29275 Adenosine A2b receptor 86.62% 98.59%
CHEMBL2581 P07339 Cathepsin D 86.06% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 85.85% 94.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.90% 92.94%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 83.43% 93.24%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.59% 85.14%
CHEMBL1781 P11387 DNA topoisomerase I 80.50% 97.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.47% 99.23%

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.
Picrasma quassioides

Cross-Links

Top
PubChem 46702470
LOTUS LTS0124259
wikiData Q105229217