Bioactive Compound Details

BioIDbio603
NameACTINOPYRONE C
ChEMBL IDCHEMBL524705
Molecular FormulaC26H38O4
Molecular Weight414.59
Molecular Weight (Monoisotopic)414.277
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsActinopyrone C
SmilesC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(CC)c(=O)c1C
InchiInChI=1S/C26H38O4/c1-9-19(5)24(27)20(6)16-18(4)13-11-12-17(3)14-15-23-21(7)25(28)22(10-2)26(29-8)30-23/h9,11,13-14,16,20,24,27H,10,12,15H2,1-8H3/b13-11+,17-14+,18-16+,19-9+/t20-,24+/m1/s1
Inchi KeyKARZXNDNDLSNJC-KNFPSKTJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.5
Records Key['22']
Records Name['actinopyrone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure