Structure via PubChem · Public domain (PubChem)
(−)-roquefortine C
Sign in to saveAlso known as (3E,5aS,10bR,11aS)-10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, roquefortine C, (-)-roquefortine C
chemical compound
Chemical data
- Formula
- C22H23N5O2
- Molecular weight
- 389.4 g/mol
- IUPAC name
- (1S,4E,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
- SMILES
- CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25
- InChIKey
- SPWSUFUPTSJWNG-JJUKSXGLSA-N
- XLogP
- 3
- Polar surface area
- 90.1 Ų
- H-bond donors
- 3
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 389.185175
Show 3 more facts
- isomeric SMILES
- CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25
- chemical formula
- C₂₂H₂₃N₅O₂
- canonical SMILES
- CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25
Sources (2)
via Wikidata · CC0