Bioactive Compound Details

BioIDbio825
NameGARCINIALIPTONE C
ChEMBL IDCHEMBL1098253
Molecular FormulaC38H50O7
Molecular Weight618.81
Molecular Weight (Monoisotopic)618.3557
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGarcinialiptone C
SmilesC=C(C)CC[C@H](C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@](C(=O)c3ccc(O)c(O)c3)(C2=O)C1(C)C)C(=C)C
InchiInChI=1S/C38H50O7/c1-21(2)11-12-24(23(5)6)17-26-20-37(16-15-22(3)4)32(42)27-19-30(36(9,10)44)45-33(27)38(34(37)43,35(26,7)8)31(41)25-13-14-28(39)29(40)18-25/h13-15,18,24,26,30,39-40,44H,1,5,11-12,16-17,19-20H2,2-4,6-10H3/t24-,26-,30+,37+,38-/m1/s1
Inchi KeyPNOWHQWZFXETJW-QBNHHQCHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.71
Records Key['5']
Records Name['Garcinialiptone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure