Bioactive Compound Details

BioIDbio33
Name7-O-ACETYLPSEURATA C
ChEMBL IDCHEMBL550161
Molecular FormulaC24H32O7
Molecular Weight432.51
Molecular Weight (Monoisotopic)432.2148
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms7-O-Acetylpseurata C
SmilesC=C1C(=O)[C@]23[C@H](O)[C@H]1C(=O)C[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O
InchiInChI=1S/C24H32O7/c1-11-19-14(27)9-16-23(6)8-7-17(30-12(2)25)22(4,5)15(23)10-18(31-13(3)26)24(16,20(11)28)21(19)29/h15-19,21,29H,1,7-10H2,2-6H3/t15-,16+,17+,18-,19-,21-,23-,24+/m1/s1
Inchi KeyZJTQVLHYMFFVCC-DCMYVXTHSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score2.84
Records Key['3, 7-O-Acetylpseurata C']
Records Name['14beta-hydroxy-3beta,7alpha-diacetoxy-ent-kaur-16-en-12,15-dione']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure