Phyto4Health

Fumaric Acid

Representations & DB's id
ChEBI: CHEBI:18012
ChEMBL: CHEMBL503160
PubChem: 444972
IUPAC: (E)-but-2-enedioic acid
Standard InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Standard InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES: OC(=O)/C=C/C(=O)O

Molecular propeties
AlogP: -0.29
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 0
Molecular Weight: 116.01
Topological polar surface area: 74.6
Number of aromatic rings: 0
Fsp3: 0
Number of carbons: 4

Plant sources

Part of plant Plant name Ref.
PlantFumaria officinalis
PlantUrtica dioica
PlantUrtica dioica
PlantPapaver somniferum
FlosTussilago farfara
PlantCapsella bursa-pastoris
FructusCapsicum annuum
PlantPlantago major
PlantPlantago major
PlantHelianthus annuus
PlantHelianthus annuus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5019000 nMEgl nine homolog 1Q9GZT9
Others0.96 nMNADP-dependent malic enzyme, mitochondrialQ16798
Potency3981.1 nMThyroid stimulating hormone receptorP16473
Potency3981.1 nMThyroid stimulating hormone receptorP16473
Potency32629.4 nMATPase family AAA domain-containing protein 5Q96QE3
Others10 %Hydroxycarboxylic acid receptor 2Q8TDS4
Potency421.6 nMNuclear factor erythroid 2-related factor 2Q16236
Potency920 nMGemininO75496
IC50220000 nMEgl nine homolog 1Q9GZT9
Kd200000 nMEgl nine homolog 1Q9GZT9
Others25 %Egl nine homolog 1Q9GZT9
IC50150000 nMAlpha-ketoglutarate-dependent dioxygenase FTOQ9C0B1