Bioactive Compound Details

BioIDbio183
NameHIRSUTALIN C
ChEMBL IDCHEMBL1631449
Molecular FormulaC28H44O7
Molecular Weight492.65
Molecular Weight (Monoisotopic)492.3087
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHirsutalin C
SmilesC=C1CC[C@H]([C@@H](C)CO)[C@@H]2[C@H]1[C@H]1CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)C(CC)OC(=O)CCC)[C@@H]2O1
InchiInChI=1S/C28H44O7/c1-7-9-23(31)33-21(8-2)27(32)35-28(6)13-12-20(30)17(4)14-22-24-16(3)10-11-19(18(5)15-29)25(24)26(28)34-22/h18-22,24-26,29-30H,3-4,7-15H2,1-2,5-6H3/t18-,19+,20-,21?,22+,24+,25+,26+,28+/m0/s1
Inchi KeyWGQGOTJWEADVEY-QXVCFRDDSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.89
Records Key['3']
Records Name['Hirsutalin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure