Bioactive Compound Details

BioIDbio198963
NameNone
ChEMBL IDCHEMBL462115
Molecular FormulaC27H35NO3
Molecular Weight421.58
Molecular Weight (Monoisotopic)421.2617
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMethyl 14-(2-Methoxyphenyl)Aminodehydroabietate
SmilesCOc1ccccc1Nc1c(C(C)C)ccc2c1C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2
InchiInChI=1S/C27H35NO3/c1-17(2)19-12-11-18-16-26(3)13-8-14-27(4,25(29)30)23(26)15-20(18)24(19)28-21-9-6-7-10-22(21)31-5/h6-7,9-12,17,23,28H,8,13-16H2,1-5H3,(H,29,30)/t23-,26-,27-/m1/s1
Inchi KeyGHGBNQZJYFVWKZ-XSBVVTFOSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.2
Records Key['17']
Records Name['Methyl 14-(2-Methoxyphenyl)aminodehydroabietate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure