Navigation

name Structure Reference Source Properties Activities Metabolism

2-Aminophenol

AlkaPlorer ID: AK003323

Synonym: o-Hydroxyaniline, 1-Amino-2-hydroxybenzene, Questiomycin B 

IUPAC Name: 2-aminophenol

Structure

SMILES: NC1=CC=CC=C1O

copy

InChI: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

copy

InChIKey: CDAWCLOXVUBKRW-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 109.128

TPSA？: 46.25

MolLogP？: 0.9744

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus niger Aspergillus niger MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Bacillus subtilis Bacillus subtilis IC50 29900000.0 nM 10.1021/jm00345a016
Bacillus subtilis Bacillus subtilis Log 1/I50 1.52 1/M 10.1021/jm00345a016
Bacillus subtilis Bacillus subtilis MIC 25.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Bos taurus Arginase-1 Inhibition 26.0 % 10.1039/d0md00011f
Candida albicans Candida albicans MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Cyberlindnera jadinii Cyberlindnera jadinii MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Escherichia coli Escherichia coli MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Homo sapiens Androgen Receptor Potency 22387.2 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 39810.7 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 12589.3 nM None
Homo sapiens Bile acid receptor FXR Potency 12589.3 nM None
Homo sapiens DNA polymerase iota Potency 11220.2 nM None
Homo sapiens Geminin Potency 4109.5 nM None
Homo sapiens Geminin Potency 7307.8 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 19952.6 nM None
Homo sapiens HepG2 Potency 15848.9 nM None
Homo sapiens Interleukin-8 Potency 66824.2 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 20596.2 nM None
Homo sapiens Lymphoblastoid cell Potency 3981.1 nM None
Homo sapiens Lymphoblastoid cell Potency 15848.9 nM None
Homo sapiens Lymphoblastoid cell Potency 19952.6 nM None
Homo sapiens Lymphoblastoid cell Potency 25118.9 nM None
Homo sapiens Lymphoblastoid cell Potency 31622.8 nM None
Homo sapiens Lymphoblastoid cell Potency 39810.7 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 35481.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 3548.1 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 13333.2 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 37578.0 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 28183.8 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 10000.0 nM None
Homo sapiens Transcriptional regulator ERG Potency 44668.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-7 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1A4 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B28 Activity nan None None
Homo sapiens UDP-glucuronosyltransferase 2B4 Activity 0.075 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 0.1 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Komagataella pastoris Komagataella pastoris MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Mus musculus L1210 Activity 15.0 % 10.1021/jm050567w
Mus musculus L1210 log(1/ID50) 2.29 None 10.1021/jm050567w
Mus musculus L1210 log(1/ID50) 5.16 None 10.1021/jm050567w
Plasmodium falciparum Plasmodium falciparum Potency 16511.3 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Schistosoma mansoni Thioredoxin glutathione reductase Potency 56234.1 nM None
Serratia marcescens Serratia marcescens MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
Staphylococcus saprophyticus Staphylococcus saprophyticus MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
None NON-PROTEIN TARGET MIC 50.0 ug.mL-1 10.1016/j.bmcl.2006.07.065
None No relevant target LogD 0.57 None 10.1021/jm00345a016
None No relevant target LogD 0.65 None 10.1021/jm00129a016
None No relevant target LogP 0.52 None 10.1021/jm00147a037
None No relevant target LogP 0.57 None 10.1021/jm00345a016
None No relevant target pKa 9.7 None 10.1021/jm00345a016
None Unchecked Kcat 2250.0 /min 10.1016/j.bmc.2012.01.021
None Unchecked Kcat/Km 11840.0 /min/mM 10.1016/j.bmc.2012.01.021
None Unchecked Km 190000.0 nM 10.1016/j.bmc.2012.01.021
None Unchecked Potency 1636.0 nM None
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 14960.1 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 23710.1 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004746 CC(=O)[CoA].Nc1ccccc1O>>CC(=O)Nc1ccccc1O enzymemap_28550
AKRT015401 Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1.Nc1ccccc1O>>Cc1ncc(CNc2ccccc2O)c(=N)[nH]1 enzymemap_40273
AKRT020552 Nc1c(O)cccc1C(=O)O>>Nc1ccccc1O R02669
AKRT020762 Nc1ccccc1C(=O)O>>Nc1ccccc1O enzymemap_11591
AKRT020779 Nc1ccccc1O.Nc1ccccc1O>>Nc1cc2nc3ccccc3oc-2cc1=O R00074
AKRT020780 Nc1ccccc1O.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>Nc1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O enzymemap_34805
AKRT020781 Nc1ccccc1O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Nc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O enzymemap_36939
AKRT020782 Nc1ccccc1O>>N/C(=C/C=C\C=O)C(=O)O R05405
AKRT020783 Nc1ccccc1O>>N/C(=C\C=C\C=O)C(=O)O RXN-8818
AKRT020784 Nc1ccccc1O>>N=C1C=CC=CC1=O RXN-13159
AKRT020785 Nc1ccccc1O>>Nc1ccccc1OS(=O)(=O)O enzymemap_49913
AKRT024856 ONc1ccccc1>>Nc1ccccc1O 5.4.4.1-RXN