10-Epi-tazopsine

AlkaPlorer ID: AK002800

Synonym: None

IUPAC Name: (1S,8S,9R,12S,13S)-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene-3,8,12,13-tetrol

Structure

SMILES: COC1=C(C2=C(C=C1)[C@@H]([C@H]3C4=C([C@H]([C@H](C[C@]42CCN3)O)O)OC)O)O

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InChI: InChI=1S/C18H23NO6/c1-24-10-4-3-8-11(16(10)23)18-5-6-19-13(14(8)21)12(18)17(25-2)15(22)9(20)7-18/h3-4,9,13-15,19-23H,5-7H2,1-2H3/t9-,13+,14-,15-,18-/m0/s1

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InChIKey: CQFMGBHPLGTYRE-ANUCULNSSA-N

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Properties Information

Molecule Weight: 349.383

TPSA: 111.41000000000001

MolLogP: 0.07349999999999979

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Plasmodium yoelii yoelii Plasmodium yoelii yoelii IC50 16100.0 nM 10.1016/j.bmc.2008.04.033
None ADMET TC50 388.3 uM 10.1016/j.bmc.2008.04.033
None Unchecked Ratio 24.1 None 10.1016/j.bmc.2008.04.033

Metabolism Information