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name Structure Reference Source Properties Activities Metabolism

Tryptophol

AlkaPlorer ID: AK006030

Synonym: None

IUPAC Name: 2-(1H-indol-3-yl)ethanol

Structure

SMILES: OCCC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

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InChIKey: MBBOMCVGYCRMEA-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces mutabilis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 161.20399999999998

TPSA？: 36.02

MolLogP？: 1.7027

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cryphonectria parasitica Cryphonectria parasitica IZ 7.0 mm 10.1021/jf990685q
Cryphonectria parasitica Cryphonectria parasitica IZ 9.0 mm 10.1021/jf990685q
Cryphonectria parasitica Cryphonectria parasitica IZ 11.0 mm 10.1021/jf990685q
Cryphonectria parasitica Cryphonectria parasitica IZ 14.0 mm 10.1021/jf990685q
Homo sapiens Breast cancer type 1 susceptibility protein Potency 316.2 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 31622.8 nM None
Homo sapiens HaCaT Activity nan None 10.1021/acs.jnatprod.1c01102
Homo sapiens HaCaT IC50 6550.0 nM 10.1021/acs.jnatprod.1c01102
Homo sapiens Mesenchymal stem cells Activity nan None 10.1021/acs.jnatprod.1c01102
Homo sapiens Neurotrophic tyrosine kinase receptor type 2 Activity nan None 10.1039/c9md00451c
Homo sapiens SH-SY5Y Activity nan None 10.1039/c9md00451c
Homo sapiens U-251 EC50 1220000.0 nM 10.1016/j.bmcl.2017.02.033
Laetisaria fuciformis Laetisaria fuciformis GI nan None 10.1021/jf990685q
Magnaporthiopsis poae Magnaporthiopsis poae GI nan None 10.1021/jf990685q
Mus musculus N2a Activity nan None 10.1039/c9md00451c
Plasmodium falciparum Plasmodium falciparum Potency 3696.4 nM None
Plenodomus lingam Plenodomus lingam GI 16.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI 29.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI nan None 10.1021/jf302038a
Rhizoctonia solani Rhizoctonia solani GI nan None 10.1021/jf990685q
None ADMET LogP app -4.72 None 10.1016/j.bmc.2007.03.040
None NON-PROTEIN TARGET Activity nan None 10.1021/np900483g
None No relevant target LogP 1.54 None 10.1016/j.bmc.2007.03.040
None Radical scavenging activity Activity 52.0 % 10.1021/np900483g
None Unchecked EC50 580000.0 nM 10.1016/j.bmcl.2017.02.033
None Unchecked EC50 1740000.0 nM 10.1016/j.bmcl.2017.02.033
None Unchecked EC50 1950000.0 nM 10.1016/j.bmcl.2017.02.033
None Unchecked EC50 4570000.0 nM 10.1016/j.bmcl.2017.02.033
None Unchecked Potency 1584.9 nM None
None Unchecked Potency 4466.8 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004757 CC(=O)[CoA].OCCc1c[nH]c2ccccc12>>CC(=O)OCCc1c[nH]c2ccccc12 enzymemap_32303
AKRT004758 CC(=O)[CoA].OCCc1c[nH]c2ccccc12>>CC(=O)n1cc(CCO)c2ccccc21 enzymemap_32413
AKRT023692 O=CCc1c[nH]c2ccccc12>>OCCc1c[nH]c2ccccc12 RXN-5603
AKRT024815 OCCc1c[nH]c2ccccc12>>OC/C=C1\C=Nc2ccccc21 RXN-21804
AKRT024816 OCCc1c[nH]c2ccccc12>>OC[C@H](O)c1c[nH]c2ccccc12 RXN-5423