Bioactive Compound Details

BioIDbio479
NameHONGDOUSHAN C
ChEMBL IDCHEMBL464659
Molecular FormulaC27H42O6
Molecular Weight462.63
Molecular Weight (Monoisotopic)462.2981
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHongdoushan C
SmilesC=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
InchiInChI=1S/C27H42O6/c1-9-14(2)25(31)33-20-12-15(3)21-19(30)13-27(8)11-10-18(29)16(4)22(27)24(32-17(5)28)23(20)26(21,6)7/h14,18-20,22-24,29-30H,4,9-13H2,1-3,5-8H3/t14-,18-,19-,20-,22-,23-,24-,27-/m0/s1
Inchi KeyJHDROULESJIQAM-QVPXOSEDSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.03
Records Key['3']
Records Name['Hongdoushan C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure