Bioactive Compound Details

BioIDbio1111
NameNone
ChEMBL IDCHEMBL477891
Molecular FormulaC27H40O7
Molecular Weight476.61
Molecular Weight (Monoisotopic)476.2774
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSeco-Pseudopterosin C
SmilesCC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H]1O
InchiInChI=1S/C27H40O7/c1-14(2)8-7-9-15(3)19-11-10-16(4)22-20(19)12-17(5)23(30)26(22)34-27-24(31)25(33-18(6)28)21(29)13-32-27/h8,12,15-16,19,21,24-25,27,29-31H,7,9-11,13H2,1-6H3/t15-,16-,19+,21+,24-,25+,27-/m0/s1
Inchi KeyTXDSBAUGBZXBHX-HUBBZPJMSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.56
Records Key['13']
Records Name['seco-pseudopterosin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure