Bioactive Compound Details

BioIDbio580
NameACETOXYBONDUCELLPIN C
ChEMBL IDCHEMBL463938
Molecular FormulaC25H34O8
Molecular Weight462.54
Molecular Weight (Monoisotopic)462.2254
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAcetoxybonducellpin C
SmilesCOC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
InchiInChI=1S/C25H34O8/c1-13(26)32-18-12-25(29)23(3,4)9-7-19(33-14(2)27)24(25,5)16-11-17-15(8-10-31-17)20(21(16)18)22(28)30-6/h8,10,16,18-21,29H,7,9,11-12H2,1-6H3/t16-,18-,19-,20+,21-,24-,25+/m0/s1
Inchi KeyVWWBNOKRESJKKB-QKLQQXTASA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.57
Records Key['17']
Records Name['acetoxybonducellpin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure