2-Hydroxyquinoline

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	2f498290-8585-45fe-9147-3ecef146c7e4
Taxonomy	Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name	1H-quinolin-2-one
SMILES (Canonical)	C1=CC=C2C(=C1)C=CC(=O)N2
SMILES (Isomeric)	C1=CC=C2C(=C1)C=CC(=O)N2
InChI	InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChI Key	LISFMEBWQUVKPJ-UHFFFAOYSA-N
Popularity	17,978 references in papers

Physical and Chemical Properties

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Molecular Formula	C₉H₇NO
Molecular Weight	145.16 g/mol
Exact Mass	145.052763847 g/mol
Topological Polar Surface Area (TPSA)	29.10 Å²
XlogP	1.30

Synonyms

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59-31-4

2-Quinolinol

Quinolin-2-ol

Carbostyril

Quinolin-2(1H)-one

2(1H)-Quinolinone

2-Quinolone

1H-quinolin-2-one

Quinolinol

quinolone

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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
CHEMBL261	P00915	Carbonic anhydrase I	6230 nM 6230 nM	Ki Ki	PMID: 22365761 PMID: 22365761
CHEMBL2885	P07451	Carbonic anhydrase III	570 nM 570 nM 570 nM	Ki Ki Ki	PMID: 22365761 PMID: 22365761 via Super-PRED
CHEMBL3729	P22748	Carbonic anhydrase IV	360 nM 360 nM 360 nM	Ki Ki Ki	PMID: 22365761 via Super-PRED PMID: 22365761
CHEMBL3594	Q16790	Carbonic anhydrase IX	82 nM 82 nM 82 nM	Ki Ki Ki	PMID: 22365761 PMID: 22365761 via Super-PRED
CHEMBL4789	P35218	Carbonic anhydrase VA	410 nM 410 nM 410 nM	Ki Ki Ki	PMID: 22365761 PMID: 22365761 via Super-PRED
CHEMBL3969	Q9Y2D0	Carbonic anhydrase VB	750 nM 750 nM 750 nM	Ki Ki Ki	via Super-PRED PMID: 22365761 PMID: 22365761
CHEMBL3025	P23280	Carbonic anhydrase VI	33 nM 33 nM 33 nM	Ki Ki Ki	PMID: 22365761 via Super-PRED PMID: 22365761
CHEMBL2326	P43166	Carbonic anhydrase VII	420 nM 420 nM 420 nM	Ki Ki Ki	PMID: 22365761 PMID: 22365761 via Super-PRED
CHEMBL3242	O43570	Carbonic anhydrase XII	93 nM 93 nM 93 nM	Ki Ki Ki	via Super-PRED PMID: 22365761 PMID: 22365761
CHEMBL3912	Q8N1Q1	Carbonic anhydrase XIII	65 nM 65 nM 65 nM	Ki Ki Ki	PMID: 22365761 via Super-PRED PMID: 22365761
CHEMBL3510	Q9ULX7	Carbonic anhydrase XIV	36 nM 36 nM 36 nM	Ki Ki Ki	PMID: 22365761 via Super-PRED PMID: 22365761

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.54%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	90.97%	94.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.51%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.04%	91.11%
CHEMBL2581	P07339	Cathepsin D	86.36%	98.95%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.64%	82.69%
CHEMBL3310	Q96DB2	Histone deacetylase 11	83.24%	88.56%
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	83.02%	81.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.97%	99.23%
CHEMBL3524	P56524	Histone deacetylase 4	82.29%	92.97%

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.

Aconitum ferox

Glycosmis pentaphylla

Houttuynia cordata

Tetradium ruticarpum