Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:51:10 UTC
Update Date2022-08-31 06:44:22 UTC
Metabolite IDMMDBc0018694
Metabolite Identification
Common NameRoquefortine F
Descriptionroquefortine F belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Based on a literature review very few articles have been published on roquefortine F.
Structure
SynonymsNot Available
Molecular FormulaC23H25N5O3
Average Mass419.485
Monoisotopic Mass419.195739685
IUPAC Name(1R,4E,7S,9R)-6-hydroxy-4-[(1H-imidazol-5-yl)methylidene]-16-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-5,10,12,14-tetraen-3-one
Traditional Name(1R,4E,7S,9R)-6-hydroxy-4-(3H-imidazol-4-ylmethylidene)-16-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-5,10,12,14-tetraen-3-one
CAS Registry NumberNot Available
SMILES
[H]\C(C1=CN=CN1)=C1/N=C(O)[C@]2([H])C[C@]3(C4=CC=CC=C4N(OC)[C@@]3([H])N2C1=O)C(C)(C)C=C
InChI Identifier
InChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+/t18-,21+,23+/m0/s1
InChI KeyUGXLTDJSORIITQ-QTJDKHMESA-N