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name Structure Reference Source Properties Activities Metabolism

2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid; (ξ)-form 

AlkaPlorer ID: AK295821

Synonym: None

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

Structure

SMILES: O=C(O)CC1(O)C(O)=NC2=CC=CC=C21

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InChI: InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)

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InChIKey: MHLHEINWUCSPTL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Prunus cerasus Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 207.185

TPSA？: 90.12

MolLogP？: 0.9505

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000783 *OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C(O)CC1(O)C(=O)Nc2ccccc21>>O=C(O)CC1(O[C@@H]2OC(CO)C(O)C(O)C2O)C(=O)Nc2ccccc21 MNXR177419
AKRT000784 *OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C(O)CC1(O)C(=O)Nc2ccccc21>>O=C(O)CC1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21 MNXR186948
AKRT004109 CC(=O)O.O=C1Nc2ccccc2C1O>>O=C(O)CC1(O)C(=O)Nc2ccccc21 MNXR176785
AKRT022724 O=C(O)CC1(O)C(=O)Nc2ccccc21>>CC(=O)O RXN-3942
AKRT022725 O=C(O)CC1(O)C(=O)Nc2ccccc21>>O=C1Nc2ccccc2C1O RXN-3942
AKRT022726 O=C(O)CC1C(=O)Nc2ccccc21>>O=C(O)CC1(O)C(=O)Nc2ccccc21 RXN-9130
AKRT022947 O=C(O)Cc1c(O)[nH]c2ccccc12>>O=C(O)CC1(O)C(=O)Nc2ccccc21 RXN-3941
AKRT022958 O=C(O)Cc1c[nH]c2ccccc12>>O=C(O)CC1(O)C(=O)Nc2ccccc21 MNXR176784