Phyto4Health

Docosapentaenoic Acid

Representations & DB's id

ChEBI: CHEBI:53488
ChEMBL: CHEMBL496634
PubChem: 5497182
IUPAC: (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
Standard InChI: InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
Standard InChI Key: YUFFSWGQGVEMMI-JLNKQSITSA-N
SMILES: CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCCC(=O)O

Molecular propeties

AlogP: 6.77
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 15
Number of rings: 0
Molecular Weight: 330.26
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.5
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others15.7 %Cytochrome P450 19A1P11511
IC5016800 nMCytochrome P450 19A1P11511
Others94.4 %Cytochrome P450 19A1P11511
Potency39810.7 nMAldehyde dehydrogenase 1A1P00352
Potency3981.1 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7