madindoline A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 10
PubChem 44323278
Molecular Formula

C22H27NO4

SMILES

CCCCC1=C(C(=O)[C@](C1=O)(C)CN2C3[C@@](CCO3)(C4=CC=CC=C42)O)C

InChI

InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20?,21-,22+/m0/s1

synonyms
  • MADINDOLINE A
  • CHEMBL91194
  • BDBM50496302
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Properties
Property Value
MW 369.5 g/mol
HBD 1
HBA 5
Rotatable Bond Count 5
Exact Mass 369.19400834 g/mol
Monoisotopic Mass 369.19400834 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 686
xlogp 3.3
Topological Polar Surface Area 66.8