De-12-N-methyl-thaxtomin A
AlkaPlorer ID: AK326037
Synonym: None
IUPAC Name: (3S,6R)-6-hydroxy-6-[(3-hydroxyphenyl)methyl]-1-methyl-3-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Structure
SMILES: CN1C(=O)[C@H](CC2=CNC3=CC=CC([N+](=O)[O-])=C23)NC(=O)[C@]1(O)CC1=CC=CC(O)=C1
InChI: InChI=1S/C21H20N4O6/c1-24-19(27)16(9-13-11-22-15-6-3-7-17(18(13)15)25(30)31)23-20(28)21(24,29)10-12-4-2-5-14(26)8-12/h2-8,11,16,22,26,29H,9-10H2,1H3,(H,23,28)/t16-,21+/m0/s1
InChIKey: SQRZSSRGQBFFGK-HRAATJIYSA-N
Source
Properties Information
Molecule Weight: 424.4130000000002
TPSA？: 148.79999999999998
MolLogP？: 1.2122999999999993
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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