Phyto4Health

3-Formylindole

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL147741
PubChem: 10256
IUPAC: 1H-indole-3-carbaldehyde
Standard InChI: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
Standard InChI Key: OLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES: O=Cc1c[nH]c2c1cccc2

Molecular propeties

AlogP: 1.98
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 2
Molecular Weight: 145.05
Topological polar surface area: 32.9
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 9

Plant sources

Part of plant Plant name Ref.
PlantUrtica dioica
NigraSesamum indicum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5022700 nMInosine-5'-monophosphate dehydrogenase 2P12268
Ki11000 nMCytochrome P450 2A6P11509
IC5079000 nMCytochrome P450 2A6P11509