Phyto4Health

Benzaldehyde

Representations & DB's id

ChEBI: CHEBI:17169
ChEMBL: CHEMBL15972
PubChem: 240
IUPAC: benzaldehyde
Standard InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Standard InChI Key: HUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1

Molecular propeties

AlogP: 1.5
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 106.04
Topological polar surface area: 17.1
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
ShootPanax ginseng
PlantCannabis sativa
RootArctium lappa
SeedPrunus dulcis
PlantPrunus armeniaca
PlantCapsella bursa-pastoris
FruitCapsicum annuum
SeedPrunus persica
FruitPrunus persica
PlantVaccinium vitis-idaea
PlantFoeniculum vulgare
PlantGossypium herbaceum
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC503920 nMCytochrome P450 2A6P11509
Potency3162.3 nMAldehyde dehydrogenase 1A1P00352
Others2.78 %Estrogen receptor alphaP03372
Others62.16 %Estrogen receptor alphaP03372
Potency74978 nMInterleukin-8P10145