Bioactive Compound Details

BioIDbio1559
NameCALLYSPONGENOL C
ChEMBL IDCHEMBL464753
Molecular FormulaC22H24O
Molecular Weight304.43
Molecular Weight (Monoisotopic)304.1827
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCallyspongenol C
SmilesC#C/C=C\CCCC/C=C\C#CC#CCCC/C=C\C#CCO
InchiInChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,9-10,18-19,23H,5-8,15-17,22H2/b4-3-,10-9-,19-18-
Inchi KeyXCLAUSBLXUZFRL-FNASMSCBSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score2.44
Records Key['3, Callyspongenol C', '93']
Records Name['(4Z,13Z,19Z)-1-hydroxydocosa-4,13,19-triene-2,9,11,21-tetrayne', 'Callyspongenol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure