Phyto4Health

Nonanoate

Representations & DB's id

ChEBI: CHEBI:29019
ChEMBL: CHEMBL108436
PubChem: 8158
IUPAC: nonanoic acid
Standard InChI: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
Standard InChI Key: FBUKVWPVBMHYJY-UHFFFAOYSA-N
SMILES: CCCCCCCCC(=O)O

Molecular propeties

AlogP: 2.82
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 7
Number of rings: 0
Molecular Weight: 158.13
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.889
Number of carbons: 9

Plant sources

Part of plant Plant name Ref.
RhizomaAcorus calamus
PlantTilia cordata
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency29092.9 nMGemininO75496
Potency819.9 nMGemininO75496