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14-(5-Cyclopentylvaleryl) Andrographolide
FEATURES
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NAMES
  • 14-(5-Cyclopentylvaleryl) Andrographolide
SMILES
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC1CCCC1
InChI
InChI=1S/C29H44O6/c1-19-11-14-24-28(2,16-15-25(31)29(24,3)18-30)22(19)13-12-21-23(17-34-27(21)33)35-26(32)10-6-9-20-7-4-5-8-20/h12,20,22-25,30-31H,1,4-11,13-18H2,2-3H3/b21-12+/t22-,23-,24+,25-,28+,29+/m1/s1
MOLECULAR FORMULA
C29H44O6
CROSS REFERENCES
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14-(5-Cyclopentylvaleryl) Andrographolide

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 488.31
AlogP 4.87
HBond donors 2
HBond acceptors 6
Atoms 79
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 14-(5-Cyclopentylvaleryl) Andrographolide.