Bioactive Compound Details

BioIDbio715
NameNORCAESALPININ E
ChEMBL IDCHEMBL464574
Molecular FormulaC21H28O6
Molecular Weight376.45
Molecular Weight (Monoisotopic)376.1886
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms17-Norbonducellpin C
SmilesCC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C
InchiInChI=1S/C21H28O6/c1-11(22)27-16-5-7-19(2,3)21(25)10-14(23)17-13(20(16,21)4)9-15-12(18(17)24)6-8-26-15/h6,8,13-14,16-17,23,25H,5,7,9-10H2,1-4H3/t13-,14-,16-,17-,20-,21+/m0/s1
Inchi KeyIBALQPBIWZLHPR-SJEMMDPOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.99
Records Key['7, norcaesalpinin E']
Records Name['17-norbonducellpin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure