Bioactive Compound Details

BioIDbio309
NameJUNCEELLOLIDE C
ChEMBL IDCHEMBL466155
Molecular FormulaC26H33ClO10
Molecular Weight540.99
Molecular Weight (Monoisotopic)540.1762
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsJunceellolide C|Junceelolide C
SmilesC=C1/C=C/[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl
InchiInChI=1S/C26H33ClO10/c1-12-7-8-17(34-14(3)28)24(6)18(35-15(4)29)9-10-25(11-33-25)20(24)22(36-16(5)30)26(32)13(2)23(31)37-21(26)19(12)27/h7-8,13,17-22,32H,1,9-11H2,2-6H3/b8-7+/t13-,17-,18-,19-,20+,21-,22-,24-,25-,26-/m0/s1
Inchi KeyGTHKEJRKRGQZPU-DTAVAUEMSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities12.0
Np Likeness Score3.34
Records Key['4', '9', '3', '28']
Records Name['junceelolide C', 'junceellolide C', 'Junceellolide C', 'Junceellolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure