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Domesticulide B
FEATURES
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NAMES
  • Domesticulide B
SMILES
C=C1C([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2[C@H](OC(C)=O)C(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C[C@]12O
InChI
InChI=1S/C29H36O9/c1-16-19(8-12-28(6)24(18-10-13-36-15-18)38-21(32)14-29(16,28)34)27(5)11-9-20(31)26(3,4)23(27)22(25(33)35-7)37-17(2)30/h9-11,13,15,19,22-24,34H,1,8,12,14H2,2-7H3/t19?,22-,23-,24-,27+,28-,29-/m0/s1
MOLECULAR FORMULA
C29H36O9
CROSS REFERENCES
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Domesticulide B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 528.24
AlogP 3.86
HBond donors 1
HBond acceptors 9
Atoms 74
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 Domesticulide B.