Bioactive Compound Details

BioIDbio649
NameLUNGSHENGENIN C
ChEMBL IDCHEMBL522144
Molecular FormulaC26H36O8
Molecular Weight476.57
Molecular Weight (Monoisotopic)476.241
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLungshengenin C
SmilesC=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3
InchiInChI=1S/C26H36O8/c1-12-16-8-17(30)20-25(7)10-19(33-14(3)28)23(34-15(4)29)24(5,6)21(25)18(32-13(2)27)11-26(20,9-16)22(12)31/h16-21,23,30H,1,8-11H2,2-7H3/t16-,17+,18+,19+,20+,21-,23+,25+,26+/m1/s1
Inchi KeyKURREVPYCWFCNL-FNAXQBPKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.9
Records Key['2, Lungshengenin C']
Records Name['11-beta-hydroxy-2beta-3beta-6alpha-triacetoxyl-ent-kaur-16-en-15-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure