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(+)-CALANOLIDE A
FEATURES
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NAMES
  • (+)-CALANOLIDE A
SMILES
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O
InChI
InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
MOLECULAR FORMULA
C22H26O5
CROSS REFERENCES
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(+)-CALANOLIDE A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 370.18
AlogP 4.38
HBond donors 1
HBond acceptors 5
Atoms 53
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 (+)-CALANOLIDE A.