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Secaubryolide
FEATURES
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NAMES
  • Secaubryolide
SMILES
C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12
InChI
InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
MOLECULAR FORMULA
C31H44O5
CROSS REFERENCES
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Secaubryolide

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 496.32
AlogP 6.21
HBond donors 0
HBond acceptors 5
Atoms 80
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 Secaubryolide.