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6-HYDROXYTHIONUPHLUTINE B
FEATURES
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NAMES
  • 6-Hydroxythionuphlutine B
SMILES
C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C3
InChI
InChI=1S/C30H42N2O3S/c1-20-3-5-26(22-9-13-34-15-22)31-18-29(11-7-24(20)31)17-30(36-19-29)12-8-25-21(2)4-6-27(32(25)28(30)33)23-10-14-35-16-23/h9-10,13-16,20-21,24-28,33H,3-8,11-12,17-19H2,1-2H3/t20-,21-,24+,25+,26+,27+,28-,29+,30-/m1/s1
MOLECULAR FORMULA
C30H42N2O3S
CROSS REFERENCES
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6-HYDROXYTHIONUPHLUTINE B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 510.29
AlogP 6.62
HBond donors 1
HBond acceptors 5
Atoms 78
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 6-HYDROXYTHIONUPHLUTINE B.