Record Information
Version2.0
StatusDetected and Quantified
Creation Date2021-05-15 01:02:53 UTC
Update Date2025-10-07 16:05:25 UTC
Metabolite IDMMDBc0008081
Metabolite Identification
Common NameBrevianamide O
DescriptionBrevianamide O is a secondary metabolite belonging to the class of amides. There is limited literature available on this compound, indicating that further research is necessary to fully understand its properties and biological significance.
Structure
SynonymsNot Available
Molecular FormulaC22H23N3O4
Average Mass393.443
Monoisotopic Mass393.168856233
IUPAC Name(4S,7S)-7-benzyl-4-(butan-2-yl)-4,6-dihydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.0^{3,8}]pentadeca-1(10),2,5,11,13-pentaen-9-one
Traditional Name(4S,7S)-7-benzyl-4,6-dihydroxy-4-(sec-butyl)-15-oxa-2,5,8-triazatricyclo[8.5.0.0^{3,8}]pentadeca-1(10),2,5,11,13-pentaen-9-one
CAS Registry NumberNot Available
SMILES
[H]C(C)(CC)[C@@]1(O)N=C(O)[C@]([H])(CC2=CC=CC=C2)N2C(=O)C3=C(OC=CC=C3)N=C12
InChI Identifier
InChI=1S/C22H23N3O4/c1-3-14(2)22(28)21-23-19-16(11-7-8-12-29-19)20(27)25(21)17(18(26)24-22)13-15-9-5-4-6-10-15/h4-12,14,17,28H,3,13H2,1-2H3,(H,24,26)/t14?,17-,22-/m0/s1
InChI KeyQSTWWSSMFYPLHS-GXNUKWMWSA-N