Bioactive Compound Details

BioIDbio902
NameALISIAQUINONE C
ChEMBL IDCHEMBL472162
Molecular FormulaC23H23NO7S
Molecular Weight457.5
Molecular Weight (Monoisotopic)457.1195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAlisiaquinone C
SmilesC[C@@]12CCC[C@]3(C)c4cc5c(cc4C(=O)[C@](O)(OC1)[C@H]23)C(=O)C1=C(NCCS1(=O)=O)C5=O
InchiInChI=1S/C23H23NO7S/c1-21-4-3-5-22(2)14-9-12-11(8-13(14)19(27)23(28,20(21)22)31-10-21)17(26)18-15(16(12)25)24-6-7-32(18,29)30/h8-9,20,24,28H,3-7,10H2,1-2H3/t20-,21-,22-,23+/m1/s1
Inchi KeySFWTYJIXVMNTBL-ODAXIHTASA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities17.0
Np Likeness Score2.1
Records Key['3']
Records Name['Alisiaquinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure