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Malayenolide B
FEATURES
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NAMES
  • Malayenolide B
SMILES
CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C
InChI
InChI=1S/C29H34O7/c1-16-11-12-23(35-27(32)19-9-7-6-8-10-19)28(4)22(14-20-17(2)26(31)34-21(20)13-16)29(5)25(36-29)15-24(28)33-18(3)30/h6-10,13,21-25H,11-12,14-15H2,1-5H3/b16-13-/t21-,22+,23-,24-,25-,28-,29+/m0/s1
MOLECULAR FORMULA
C29H34O7
CROSS REFERENCES
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Malayenolide B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 494.23
AlogP 4.70
HBond donors 0
HBond acceptors 7
Atoms 70
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 Malayenolide B.