Bioactive Compound Details

BioIDbio198801
NameNone
ChEMBL IDCHEMBL517397
Molecular FormulaC27H35NO3
Molecular Weight421.58
Molecular Weight (Monoisotopic)421.2617
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMethyl 12-(2-Methoxyphenyl)Aminodehydroabietate
SmilesCOc1ccccc1Nc1cc2c(cc1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2
InchiInChI=1S/C27H35NO3/c1-17(2)20-13-18-15-24-26(3,11-8-12-27(24,4)25(29)30)16-19(18)14-22(20)28-21-9-6-7-10-23(21)31-5/h6-7,9-10,13-14,17,24,28H,8,11-12,15-16H2,1-5H3,(H,29,30)/t24-,26-,27-/m1/s1
Inchi KeyORKYWIJRXLGJEI-ZRJLEYOISA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.32
Records Key['16']
Records Name['Methyl 12-(2-Methoxyphenyl)aminodehydroabietate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure