ISOMELDENIN

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 76316558
Molecular Formula

C28H38O5

SMILES

CC(=O)OC1[C@@H]([C@@H]2[C@](CCC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C)O

InChI

InChI=1S/C28H38O5/c1-16(29)33-24-22(31)23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,24)6/h8,11,14-15,18,20,22-24,31H,7,9-10,12-13H2,1-6H3/t18-,20+,22+,23-,24?,26-,27+,28-/m0/s1

synonyms
  • ISOMELDENIN
  • CHEMBL2288863
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Properties
Property Value
MW 454.6 g/mol
HBD 1
HBA 5
Rotatable Bond Count 3
Exact Mass 454.27192431 g/mol
Monoisotopic Mass 454.27192431 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 891
xlogp 4.6
Topological Polar Surface Area 76.7