Molecule

Plantagoguanidinic acid

AlkaPlorer ID: AK310669

Synonym: 2-(2-Amino-4,5-dihydro-1H-imidazol-4-yl)-6-methyl-5-heptenoic acid, Plantagoamidinic acid A

IUPAC Name: 2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)-6-methylhept-5-enoic acid

SMILES: CC(C)=CCCC(C(=O)O)C1CNC(=N)N1

InChI: InChI=1S/C11H19N3O2/c1-7(2)4-3-5-8(10(15)16)9-6-13-11(12)14-9/h4,8-9H,3,5-6H2,1-2H3,(H,15,16)(H3,12,13,14)

InChIKey: WVCALCYXKSQZFA-UHFFFAOYSA-N

PubChem CID: 53328941

NPASS: NPC325094

COCONUT: CNP0163688.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eclipta prostrata	Eclipta	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plumbago zeylanica	Plumbago	Plumbaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plantago asiatica	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 225.29200000000003

TPSA？: 85.21000000000001

MolLogP？: 0.9297699999999998

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Ovis aries	Cyclooxygenase-1	IC50	300000.0	nM	10.1016/j.ejmech.2019.06.034
Ovis aries	Cyclooxygenase-2	IC50	830000.0	nM	10.1016/j.ejmech.2019.06.034