Roquefortine E

(1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Also Known As: Roquefortine E|RoquefortineE|Roquefortin E|Isoroquefortine E|HY-N10222|J2.263.486K|(1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione|(1S,4E,7S,9R)-9-(1,1-dimethylallyl)-4-[[5-(1,1-dimethylallyl)-1H-imidazol-4-yl]methylene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione|(1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-((5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl)methylidene)-2,5,16-triazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-3,6-dione|(1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-{[4-(2-methylbut-3-en-2-yl)-1H-imidazol-5-yl]methylidene}-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione|(3E,5aS)-10bbeta-(1,1-Dimethyl-2-propenyl)-3-[4-(1,1-dimethyl-2-propenyl)-1H-imidazole-5-ylmethylene]-6,10b,11,11aalpha-tetrahydro-2H-pyrazino[1 ,2 :1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione|(3E,5aS,10bR,11aS)-10b-(2-Methylbut-3-en-2-yl)-3-{[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene}-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione|(5aS)-3-[(E)-[5-(1,1-Dimethyl-2-propenyl)-1H-imidazole-4-yl]methylene]-10bbeta-(1,1-dimethyl-2-propenyl)-1,3,4,5abeta,6,10b,11,11aalpha-octahydro-2H-pyrazino[1 ,2 :1,5]pyrrolo[2,3-b]indole-1,4-dione

Molecular Formula	C27H31N5O2
Molecular Weight	457.24777 g/mol
LogP	3.8467
Topological Polar Surface Area	90.12 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	457.24777
Monoisotopic Mass	457.24777
Heavy Atoms	34
Complexity	1253.2167

Chemical Identifiers

CAS Number	871982-52-4
SMILES	CC(C)(C=C)C1=C(N=CN1)/C=C/2\C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2