Bioactive Compound Details

BioIDbio1353
NameMETHYLGEOPYXIN C
ChEMBL IDCHEMBL2022265
Molecular FormulaC21H28O5
Molecular Weight360.45
Molecular Weight (Monoisotopic)360.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMethylgeopyxin C
SmilesC=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)C(=O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O
InchiInChI=1S/C21H28O5/c1-11-12-5-6-13-20(3)14(9-16(23)21(13,10-12)17(11)24)19(2,18(25)26-4)8-7-15(20)22/h12-14,16,23H,1,5-10H2,2-4H3/t12-,13+,14-,16+,19-,20+,21-/m1/s1
Inchi KeyVCVUJQJODGVLDL-ZXQYVARWSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score3.23
Records Key['9']
Records Name['methylgeopyxin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure