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Microporenic Acid F ID: ALA4287284
Chembl Id: CHEMBL4287284
PubChem CID: 139589922
Max Phase: Preclinical
Molecular Formula: C26H42O9
Molecular Weight: 498.61
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)=CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O
Standard InChI: InChI=1S/C26H42O9/c1-17(2)8-7-14-26(5,34)21(27)12-11-18(3)9-6-10-19(4)13-15-35-23(25(32)33)20(24(30)31)16-22(28)29/h8-9,13,20-21,23,27,34H,6-7,10-12,14-16H2,1-5H3,(H,28,29)(H,30,31)(H,32,33)/b18-9+,19-13+/t20-,21-,23+,26+/m0/s1
Standard InChI Key: ZISBGTVEFCAPFP-ZFLQYMKCSA-N
Associated Targets(Human) 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: 498.61Molecular Weight (Monoisotopic): 498.2829AlogP: 3.94#Rotatable Bonds: 18Polar Surface Area: 161.59Molecular Species: ACIDHBA: 6HBD: 5#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 5#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.49CX Basic pKa: ┄CX LogP: 3.47CX LogD: -4.86Aromatic Rings: ┄Heavy Atoms: 35QED Weighted: 0.18Np Likeness Score: 1.99
References 1. Chepkirui C, Yuyama KT, Wanga LA, Decock C, Matasyoh JC, Abraham WR, Stadler M.. (2018) Microporenic Acids A-G, Biofilm Inhibitors, and Antimicrobial Agents from the Basidiomycete Microporus Species., 81 (4): [PMID:29489350 ] [10.1021/acs.jnatprod.7b00764 ]