Bioactive Compound Details

BioIDbio1053
NameGUIDONGNIN C
ChEMBL IDCHEMBL462455
Molecular FormulaC20H26O6
Molecular Weight362.42
Molecular Weight (Monoisotopic)362.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGuidongnin C
SmilesC[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O
InchiInChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h10-14,21H,3-9H2,1-2H3/t10-,11-,12-,13+,14-,18+,19-,20+/m1/s1
Inchi KeyUJOVIPONWVKELP-BHVIDLPJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.46
Records Key['8']
Records Name['guidongnin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure