ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04992
Compound Name(1S,5S,6R,7R,8R,9S,10S)-5-Angeloyloxy-8,9-epoxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide
Chemical ClassTerpenoids
Molecular Weight376.405
logP1.734
H-Bond Donor1.00
H-Bond Acceptor10
Caco-2 Permeability783.297
logSwat-2.931
Number of Primary Metabolites5
Polar Surface Area119.020
Rotatable Bonds6
logKhsa-0.394
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.945
Blood Brain Barrier (logBB)-0.827
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01441
TaxKB   -
Structure Download

 






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