andrographolide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 497
Total Number of Articles : 399
PubChem 5318517
Molecular Formula

C20H30O5

SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O

InChI

InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1

synonyms
  • Andrographolide
  • 5508-58-7
  • CHEBI:65408
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Properties
Property Value
MW 350.4 g/mol
HBD 3
HBA 5
Rotatable Bond Count 3
Exact Mass 350.20932405 g/mol
Monoisotopic Mass 350.20932405 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 597
xlogp 2.2
Topological Polar Surface Area 87