indol-3-ylacetaldehyde

AlkaPlorer ID: AK000284

Synonym: '2-(Indol-3-yl)acetaldehyde', '', 'Indoleacetaldehyde', 'indole-3-acetaldehyde', 'Indole-3-acetaldehyde', '1H-Indole-3-acetaldehyde'

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

Structure

SMILES: O=CCC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2

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InChIKey: WHOOUMGHGSPMGR-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Apis cerana Apis Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 159.188

TPSA: 32.86

MolLogP: 1.9093

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT018373 NCCc1c[nH]c2ccccc12>>O=CCc1c[nH]c2ccccc12 RXN-1401
AKRT019808 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>O=CCc1c[nH]c2ccccc12 RXN-5402
AKRT022271 O/N=C/Cc1c[nH]c2ccccc12>>O=CCc1c[nH]c2ccccc12 R08606
AKRT022595 O=C(O)C(=O)Cc1c[nH]c2ccccc12>>O=C=O.O=CCc1c[nH]c2ccccc12 None
AKRT022596 O=C(O)C(=O)Cc1c[nH]c2ccccc12>>O=CCc1c[nH]c2ccccc12 4.1.1.74-RXN
AKRT023645 O=C=O.O=CCc1c[nH]c2ccccc12>>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O MNXR176879
AKRT023689 O=CCc1c[nH]c2ccccc12>>O=C(O)Cc1c[nH]c2ccccc12 RXN-10715
AKRT023690 O=CCc1c[nH]c2ccccc12>>O=C/C=C1\C=Nc2ccccc21 RXN-21808
AKRT023691 O=CCc1c[nH]c2ccccc12>>O=C[C@H](O)c1c[nH]c2ccccc12 RXN-5422
AKRT023692 O=CCc1c[nH]c2ccccc12>>OCCc1c[nH]c2ccccc12 RXN-5603