Bioactive Compound Details

BioIDbio921
NameGALLOMYRTUCOMMULONE C
ChEMBL IDCHEMBL493855
Molecular FormulaC27H36O13
Molecular Weight568.57
Molecular Weight (Monoisotopic)568.2156
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGallomyrtucommulone C
SmilesCC(C)=C[C@@]1(O)C(=O)C(C)(C)C(=O)C(C)(C)[C@@H]1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C27H36O13/c1-11(2)9-27(37)23(36)25(3,4)22(35)26(5,6)24(27)40-21-19(33)18(32)17(31)15(39-21)10-38-20(34)12-7-13(28)16(30)14(29)8-12/h7-9,15,17-19,21,24,28-33,37H,10H2,1-6H3/t15-,17-,18+,19-,21+,24+,27-/m1/s1
Inchi KeyZOEFIRUNMVHSJA-KEJMKAIKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score1.77
Records Key['3c']
Records Name['Gallomyrtucommulone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure