Bioactive Compound Details

BioIDbio1278
NameCARDIVIN C
ChEMBL IDCHEMBL459017
Molecular FormulaC24H34O9
Molecular Weight466.53
Molecular Weight (Monoisotopic)466.2203
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymscardivin C
SmilesC=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)/C(C)=C\C
InchiInChI=1S/C24H34O9/c1-8-12(4)22(28)33-20-19-16(14(6)23(29)32-19)18(31-21(27)11(2)3)17(26)13(5)9-15(25)10-24(20,7)30/h8,11,13,15-16,18-20,25,30H,6,9-10H2,1-5,7H3/b12-8-/t13-,15-,16-,18-,19+,20-,24-/m0/s1
Inchi KeyXWZYMNOGYGCQNQ-WFRDMGJCSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.11
Records Key['3, cardivin C']
Records Name['2,10-dihydroxy-5-oxo-6-(isobutyloxy)-9-(angeloyloxy)-germacran-8,12-olide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure