2-Hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one

Details

Top
Internal ID 87d0f2f3-62ee-48fc-9878-fcf2b02c3c74
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives
IUPAC Name 2-hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H15NO3/c1-8(2)15(18)14(17)11-5-4-10-6-9(3)16-7-12(10)13(11)19-15/h4-8,18H,1-3H3
InChI Key CYCJFMKXQPLWCL-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C15H15NO3
Molecular Weight 257.28 g/mol
Exact Mass 257.10519334 g/mol
Topological Polar Surface Area (TPSA) 59.40 Ų
XlogP 2.70

Synonyms

Top
250231-82-4
2-hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
orb2279414
SCHEMBL29767813
EX-A13920
AKOS040735210
T125205
2-Hydroxy-2-isopropyl-7-methylfuro[3,2-h]isoquinolin-3(2H)-one

2D Structure

Top
2D Structure of 2-Hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-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
CHEMBL4040 P28482 MAP kinase ERK2 99.38% 83.82%
CHEMBL1951 P21397 Monoamine oxidase A 98.40% 91.49%
CHEMBL2581 P07339 Cathepsin D 94.74% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 92.86% 94.75%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 92.18% 93.10%
CHEMBL3401 O75469 Pregnane X receptor 90.37% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 90.29% 93.65%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.68% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.12% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.11% 94.00%
CHEMBL2535 P11166 Glucose transporter 89.01% 98.75%
CHEMBL4208 P20618 Proteasome component C5 88.62% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.71% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.78% 91.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.57% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.12% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.29% 86.33%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 83.66% 100.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.60% 96.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.11% 99.15%
CHEMBL1907 P15144 Aminopeptidase N 81.80% 93.31%

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.
There are no matching plants.

Cross-Links

Top
PubChem 10467646
LOTUS LTS0069303
wikiData Q103818165