Cas no 588706-66-5 (Ophiopogonanone E)

Ophiopogonanone E structure
Ophiopogonanone E structure
Product Name:Ophiopogonanone E
CAS No:588706-66-5
MF:C19H20O7
MW:360.357906341553
CID:1080879
PubChem ID:5316797
Update Time:2025-04-20

Ophiopogonanone E Chemical and Physical Properties

Names and Identifiers

    • Ophiopogonanone E
    • 5,7-Dihydroxy-8-methoxy-6-methyl-3-(2'-hydroxy-4'-methoxybenzyl)chroman-4-one
    • [ "" ]
    • CHEMBL1094630
    • CS-0023332
    • 588706-66-5
    • 5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
    • AKOS032949039
    • HY-N3132
    • DA-76440
    • 5,7-dihydroxy-3-((2-hydroxy-4-methoxyphenyl)methyl)-8-methoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
    • 5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
    • Inchi: 1S/C19H20O7/c1-9-15(21)14-17(23)11(8-26-18(14)19(25-3)16(9)22)6-10-4-5-12(24-2)7-13(10)20/h4-5,7,11,20-22H,6,8H2,1-3H3
    • InChI Key: FMFZMWWKEGLLRS-UHFFFAOYSA-N
    • SMILES: O1C2C(=C(C(C)=C(C=2C(C(C1)CC1C=CC(=CC=1O)OC)=O)O)O)OC

Computed Properties

  • Exact Mass: 360.12100
  • Monoisotopic Mass: 360.12090297 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 498
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 360.4
  • XLogP3: 3.2
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.377±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.043 g/l) (25 o C),
  • PSA: 105.45000
  • LogP: 2.56300

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