Spongistatin-1
FEATURES
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NAMES
  • Spongistatin-1
SMILES
C=C(Cl)/C=C/[C@@H](O)C(C)C(=C)C[C@H]1O[C@@H]2[C@H](C)[C@@H](OC(=O)C[C@H]3C[C@H](OC(C)=O)C[C@@]4(C[C@@](C)(O)C[C@H](CC(=C)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C(=O)C[C@@H]5C[C@H](OC)C[C@@]6(C[C@@H](O)C[C@H](/C=C\CCC[C@H]7O[C@](O)(C[C@H](O)[C@H]7C)[C@H]2O)C6)O5)O4)O3)[C@@H]1O
InChI
InChI=1S/C65H99ClO20/c1-34-20-50-29-62(11,76)33-64(85-50)31-49(79-42(9)67)24-47(84-64)26-56(73)82-59-41(8)60(81-55(57(59)74)21-35(2)37(4)51(70)19-18-36(3)66)61(75)65(77)32-53(72)39(6)54(86-65)17-15-13-14-16-44-22-45(69)28-63(27-44)30-48(78-12)23-46(83-63)25-52(71)40(7)58(38(34)5)80-43(10)68/h14,16,18-19,37-41,44-51,53-55,57-61,69-70,72,74-77H,1-3,13,15,17,20-33H2,4-12H3/b16-14-,19-18+/t37?,38-,39-,40-,41-,44+,45+,46+,47-,48+,49+,50+,51-,53+,54-,55-,57-,58+,59-,60-,61+,62+,63-,64-,65-/m1/s1
MOLECULAR FORMULA
C65H99ClO20
CROSS REFERENCES
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Spongistatin-1
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1234.64
AlogP6.82
HBond donors7
HBond acceptors20
Atoms185
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Spongistatin-1.