Bioactive Compound Details

BioIDbio164881
NameSARCODONINS I
ChEMBL IDCHEMBL2012243
Molecular FormulaC20H28O4
Molecular Weight332.44
Molecular Weight (Monoisotopic)332.1988
TypeSmall molecule
Max Phase--
Target IDTar52
Target NameNone
SynonymsSarcodonins I
SmilesC[C@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(CO)CC1
InchiInChI=1S/C20H28O4/c1-13(10-21)15-5-6-20(12-23)8-7-19(2)16(18(15)20)4-3-14(11-22)9-17(19)24/h3-4,11,13,17,21,23-24H,5-10,12H2,1-2H3/t13-,17+,19-,20-/m1/s1
Inchi KeyLYWUSVMTERQURN-ISJOWMGUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.67
Records Key['2']
Records Name['sarcodonins I']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure