Bioactive Compound Details

BioIDbio199729
NameSCHLEICHERASTATIN 2
ChEMBL IDCHEMBL481653
Molecular FormulaC30H52O3
Molecular Weight460.74
Molecular Weight (Monoisotopic)460.3916
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsSchleicherastatin 2
SmilesCC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InchiInChI=1S/C30H52O3/c1-8-20(18(2)3)15-26(32)19(4)23-9-10-24-28-25(12-14-30(23,24)6)29(5)13-11-22(31)16-21(29)17-27(28)33-7/h17-20,22-28,31-32H,8-16H2,1-7H3/t19-,20+,22-,23+,24-,25-,26+,27+,28-,29-,30+/m0/s1
Inchi KeyGDNMTUAJVKFDCM-YCIPJHSJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.91
Records Key['2, Schleicherastatin 2']
Records Name['24beta-ethyl-7alpha-methoxycholest-5-ene-3beta,22alpha-diol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure