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Quiquelignan H
FEATURES
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NAMES
  • Quiquelignan H
SMILES
COc1ccc([C@H](O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)cc1O
InChI
InChI=1S/C35H34O12/c1-42-28-15-10-24(19-27(28)38)32(39)31(20-46-35(41)23-8-13-26(37)14-9-23)47-33-29(43-2)17-21(18-30(33)44-3)5-4-16-45-34(40)22-6-11-25(36)12-7-22/h4-15,17-19,31-32,36-39H,16,20H2,1-3H3/b5-4+/t31-,32-/m0/s1
MOLECULAR FORMULA
C35H34O12
CROSS REFERENCES
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Quiquelignan H

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 646.21
AlogP 5.04
HBond donors 4
HBond acceptors 12
Atoms 81
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 Quiquelignan H.