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Indolelactate

AlkaPlorer ID: AK321023

Synonym: None

IUPAC Name: 2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Structure

SMILES: O=C(O)C(O)CC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)

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InChIKey: XGILAAMKEQUXLS-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 205.213

TPSA？: 73.32

MolLogP？: 1.1559000000000004

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Kynurenine--oxoglutarate transaminase I IC50 220000.0 nM 10.1021/jm9000874
Homo sapiens Survival motor neuron protein Potency 891.3 nM None
Human immunodeficiency virus 1 Aberrant vpr protein Potency 63095.7 nM None
None Unchecked Potency 65.1 nM None
None Unchecked Potency 29092.9 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005263 CC(C)=CCOP(=O)(O)OP(=O)(O)O.O=C(O)C(O)Cc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2[nH]cc(CC(O)C(=O)O)c12 enzymemap_40428
AKRT005264 CC(C)=CCOP(=O)(O)OP(=O)(O)O.O=C(O)C(O)Cc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2c(CC(O)C(=O)O)c[nH]c12 enzymemap_41295
AKRT022589 O=C(O)C(=O)Cc1c[nH]c2ccccc12>>O=C(O)C(O)Cc1c[nH]c2ccccc12 enzymemap_762
AKRT022627 O=C(O)C(O)Cc1c[nH]c2ccccc12>>O=C(O)C(=O)Cc1c[nH]c2ccccc12 enzymemap_762