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Isospiculoic Acid A
FEATURES
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NAMES
  • ISOSPICULOIC ACID A
SMILES
CCC1=C[C@](/C=C/c2ccccc2)(CC)[C@@](CC)(C(=O)O)[C@H]2[C@H]1[C@@H](CC)C(=O)[C@@H]2C
InChI
InChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-18(5)24(28)21(7-2)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22-,23-,26-,27-/m1/s1
MOLECULAR FORMULA
C27H36O3
CROSS REFERENCES
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Isospiculoic Acid A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 408.27
AlogP 6.40
HBond donors 1
HBond acceptors 3
Atoms 66
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 Isospiculoic Acid A.