Pyrazolofluostatin A

AlkaPlorer ID: AK106648

Synonym: 'Pyrazolofluostatin A', 'Pyrazolofluostatin B'

IUPAC Name: (16S,17S,18R)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.02,10.04,9.015,19]nonadeca-1,4(9),5,7,10,12,15(19)-heptaen-3-one

Structure

SMILES: C[C@]1(O)C2=C3C(=C4C(=O)C5=CC=CC(O)=C5C4=C(O)C3=NN2)[C@@H](O)[C@@H]1O

copy

InChI: InChI=1S/C18H14N2O6/c1-18(26)16-11-10(15(24)17(18)25)9-8(14(23)12(11)19-20-16)7-5(13(9)22)3-2-4-6(7)21/h2-4,15,17,21,23-26H,1H3,(H,19,20)/t15-,17+,18+/m1/s1

copy

InChIKey: QVOSMRYNYHXRDM-NJAFHUGGSA-N

copy

Properties Information

Molecule Weight: 354.31800000000004

TPSA: 146.9

MolLogP: 0.8009000000000002

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information