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Epolactaene
FEATURES
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NAMES
  • Epolactaene
SMILES
C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1C(C)(O)NC2=O)C(=O)OC
InChI
InChI=1S/C21H27NO6/c1-6-15(17(24)27-5)12-13(2)10-8-7-9-11-14(3)16(23)21-18(28-21)20(4,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-11+,15-6+/t18-,20?,21-/m0/s1
MOLECULAR FORMULA
C21H27NO6
CROSS REFERENCES
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Epolactaene

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 389.18
AlogP 1.88
HBond donors 2
HBond acceptors 7
Atoms 55
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Epolactaene.