Bioactive Compound Details

BioIDbio365
NameDIMETHYL PORICOATE C
ChEMBL IDCHEMBL1765422
Molecular FormulaC33H50O4
Molecular Weight510.76
Molecular Weight (Monoisotopic)510.3709
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsdimethyl poricoate C
SmilesC=C(CC[C@@H](C(=O)OC)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C
InchiInChI=1S/C33H50O4/c1-21(2)23(5)11-12-24(30(35)37-10)26-15-19-33(8)28-14-13-25(22(3)4)31(6,18-17-29(34)36-9)27(28)16-20-32(26,33)7/h14,16,21,24-26H,3,5,11-13,15,17-20H2,1-2,4,6-10H3/t24-,25+,26-,31+,32-,33+/m1/s1
Inchi KeyNDOHRVMLLLVSCS-DBJVCEQOSA-N
Molecular SpeciesNone
Targets7.0
Bioactivities8.0
Np Likeness Score2.98
Records Key['2b, dimethyl poricoate C']
Records Name['Dimethyl PoricoateC[dimethyl(20R)-3,4-seco-24-methyllanosta-4(28),7,9(11),24(241)-tetraene-3,21-dioate]']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure