Bioactive Compound Details

BioIDbio1071
NameCYPELLOCARPA C
ChEMBL IDCHEMBL247486
Molecular FormulaC26H32O11
Molecular Weight520.53
Molecular Weight (Monoisotopic)520.1945
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCypellocarpa C|Cypellocarpin C
SmilesCc1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](COC(=O)C4=CC[C@H](C(C)(C)O)CC4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
InchiInChI=1S/C26H32O11/c1-12-8-16(27)20-17(28)9-15(10-18(20)35-12)36-25-23(31)22(30)21(29)19(37-25)11-34-24(32)13-4-6-14(7-5-13)26(2,3)33/h4,8-10,14,19,21-23,25,28-31,33H,5-7,11H2,1-3H3/t14-,19+,21+,22-,23+,25+/m0/s1
Inchi KeyOUBDJJFZUQGQLU-ZHFYLPRNSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities32.0
Np Likeness Score2.14
Records Key['3', 'Cy-C', '9']
Records Name['cypellocarpin C', 'cypellocarpa C', 'cypellocarpin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure