Bioactive Compound Details

BioIDbio83467
NamePETRORASPAILYNE A1
ChEMBL IDCHEMBL453009
Molecular FormulaC15H24O3
Molecular Weight252.35
Molecular Weight (Monoisotopic)252.1725
TypeSmall molecule
Max Phase--
Target IDTar54
Target NameNone
SynonymsPetroraspailyne A1
SmilesCCCCCC/C=C\C#C/C=C\OC[C@@H](O)CO
InchiInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h7-8,11-12,15-17H,2-6,13-14H2,1H3/b8-7-,12-11-/t15-/m0/s1
Inchi KeyVXUJPAMTNKYUJA-BXHGANSESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.57
Records Key['1']
Records Name['petroraspailyne A1']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure