33025-60-4

AlkaPlorer ID: AK083757

Synonym: None

IUPAC Name: 1-(3-hydroxyindol-1-yl)ethanone

Structure

SMILES: CC(=O)N1C=C(O)C2=CC=CC=C21

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InChI: InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3

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InChIKey: NNJXIAOPPYUVAX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lactarius deliciosus Lactarius Russulaceae Russulales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 175.18699999999998

TPSA: 42.23

MolLogP: 2.007

Number of H-Donors: 1

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
AKRT004759 CC(=O)[CoA].Oc1c[nH]c2ccccc12>>CC(=O)n1cc(O)c2ccccc21 RXN-22054
AKRT004784 CC(=O)n1cc(O)c2ccccc21>>CC(=O)N1C(=O)C(=O)c2ccccc21 R03873