Bioactive Compound Details

BioIDbio838
NameGUADICHAUDOL C
ChEMBL IDCHEMBL471180
Molecular FormulaC29H42O6
Molecular Weight486.65
Molecular Weight (Monoisotopic)486.2981
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsguadichaudol C
SmilesC[C@H]1CC=C2C(CO)(CO)CCC[C@]2(C)C1CC[C@@H](CCO)COC(=O)/C=C/c1ccc(O)cc1
InchiInChI=1S/C29H42O6/c1-21-4-12-26-28(2,15-3-16-29(26,19-31)20-32)25(21)11-7-23(14-17-30)18-35-27(34)13-8-22-5-9-24(33)10-6-22/h5-6,8-10,12-13,21,23,25,30-33H,3-4,7,11,14-20H2,1-2H3/b13-8+/t21-,23-,25?,28+/m0/s1
Inchi KeyWKYXCYBYTMQMJO-IUHYZJFXSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities8.0
Np Likeness Score2.04
Records Key['3, guadichaudol C']
Records Name['16-O-p-trans-coumaroyl-15,18,19-trihydroxylabd-5-ene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure