Bioactive Compound Details

BioIDbio1698
NameISOABIETENIN C
ChEMBL IDCHEMBL2334473
Molecular FormulaC26H36O10
Molecular Weight508.56
Molecular Weight (Monoisotopic)508.2308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIsoabietenin C
SmilesC=C(C=O)[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@](O)(C1)[C@H](OC(C)=O)C(=O)[C@H]1C(C)(C)[C@H](O)C[C@@H](OC(C)=O)[C@@]12C
InchiInChI=1S/C26H36O10/c1-12(11-27)16-8-17(34-13(2)28)21-25(7)19(35-14(3)29)9-18(31)24(5,6)22(25)20(32)23(36-15(4)30)26(21,33)10-16/h11,16-19,21-23,31,33H,1,8-10H2,2-7H3/t16-,17+,18+,19+,21+,22-,23+,25+,26-/m0/s1
Inchi KeyBZYCORRPHLCSFE-GCDOHVERSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities7.0
Np Likeness Score2.92
Records Key['3, Isoabietenin C']
Records Name['3alpha,8alpha-dihydroxy-1beta,7alpha,11alpha-triacetoxy-6,16-dioxoabiata-15-ene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure