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3-methyl-7-(prop-2-en-1-yloxy)-4H-furo[3,2-c]chromen-4-one ID: ALA5272455
Chembl Id: CHEMBL5272455
Max Phase: Preclinical
Molecular Formula: C15H12O4
Molecular Weight: 256.26
Associated Items:
Names and Identifiers Canonical SMILES: C=CCOc1ccc2c(c1)oc(=O)c1c(C)coc12
Standard InChI: InChI=1S/C15H12O4/c1-3-6-17-10-4-5-11-12(7-10)19-15(16)13-9(2)8-18-14(11)13/h3-5,7-8H,1,6H2,2H3
Standard InChI Key: FMZHXORWEGSGIV-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 256.26Molecular Weight (Monoisotopic): 256.0736AlogP: 3.41#Rotatable Bonds: 3Polar Surface Area: 52.58Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: CX LogP: 3.07CX LogD: 3.07Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.53Np Likeness Score: 0.65
References 1. Salehian F, Nadri H, Jalili-Baleh L, Youseftabar-Miri L, Abbas Bukhari SN, Foroumadi A, Tüylü Küçükkilinç T, Sharifzadeh M, Khoobi M.. (2021) A review: Biologically active 3,4-heterocycle-fused coumarins., 212 [PMID:33276991 ] [10.1016/j.ejmech.2020.113034 ]