Bioactive Compound Details

BioIDbio199772
NameETHYLSALVINORINB-2-O-MALONATE
ChEMBL IDCHEMBL2381585
Molecular FormulaC26H32O10
Molecular Weight504.53
Molecular Weight (Monoisotopic)504.1995
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
InchiInChI=1S/C26H32O10/c1-5-34-19(27)11-20(28)35-17-10-16(23(30)32-4)25(2)8-6-15-24(31)36-18(14-7-9-33-13-14)12-26(15,3)22(25)21(17)29/h7,9,13,15-18,22H,5-6,8,10-12H2,1-4H3/t15-,16-,17-,18-,22-,25-,26-/m0/s1
Inchi KeyNSQSBDZVBDVMKE-KRPMOIONSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score2.49
Records Key['5']
Records Name['EthylsalvinorinB-2-O-malonate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure