Phyto4Health

Sebacic Acid

Representations & DB's id

ChEBI: CHEBI:41865
ChEMBL: CHEMBL1232164
PubChem: 5192
IUPAC: decanedioic acid
Standard InChI: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
Standard InChI Key: CXMXRPHRNRROMY-UHFFFAOYSA-N
SMILES: OC(=O)CCCCCCCCC(=O)O

Molecular propeties

AlogP: 2.28
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 9
Number of rings: 0
Molecular Weight: 202.12
Topological polar surface area: 74.6
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantValeriana officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.