Bioactive Compound Details

BioIDbio198844
Name3-ACETYL-T-2 TOXIN
ChEMBL IDCHEMBL2251639
Molecular FormulaC27H38O10
Molecular Weight522.59
Molecular Weight (Monoisotopic)522.2465
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2
InchiInChI=1S/C27H38O10/c1-14(2)8-23(31)36-20-11-26(12-32-16(4)28)22(9-15(20)3)37-24-19(34-17(5)29)10-21(35-18(6)30)25(26,7)27(24)13-33-27/h9,14,19-22,24H,8,10-13H2,1-7H3/t19-,20+,21-,22-,24-,25-,26-,27-/m1/s1
Inchi KeyBZDNTGGBZYGQRR-GBMDJSRPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.73
Records Key['17']
Records Name['3-acetyl-T-2 toxin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure