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Potassium pseudolarate B ID: ALA469926
Chembl Id: CHEMBL469926
PubChem CID: 23717302
Max Phase: Preclinical
Molecular Formula: C23H27KO8
Molecular Weight: 432.47
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC2=O)[C@@]3(OC(C)=O)CC1.[K+]
Standard InChI: InChI=1S/C23H28O8.K/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24;/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26);/q;+1/p-1/b10-5+,14-6+;/t17-,21+,22+,23-;/m0./s1
Standard InChI Key: GFJIIANUHGTBCZ-VSDSSLSUSA-M
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 432.47Molecular Weight (Monoisotopic): 432.1784AlogP: 2.87#Rotatable Bonds: 5Polar Surface Area: 116.20Molecular Species: ACIDHBA: 7HBD: 1#RO5 Violations: 0HBA (Lipinski): 8HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 3.98CX Basic pKa: CX LogP: 2.95CX LogD: -0.22Aromatic Rings: 0Heavy Atoms: 31QED Weighted: 0.31Np Likeness Score: 3.16
References 1. Li E, Clark AM, Hufford CD.. (1995) Antifungal evaluation of pseudolaric acid B, a major constituent of Pseudolarix kaempferi., 58 (1): [PMID:7760078 ] [10.1021/np50115a007 ]