Basic information
- CAS
127926-11-8- Standard SMILES
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12- InChIKey
UHFSGFDEMVYYRX-YSDDDFLKSA-N- Molecular formula
- C27H29N3O3
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.2208918
Overview
rugulosuvine has been reported in Agathosma martiana and Penicillium aurantiogriseum with data available.
Names & identifiers
- Preferred name
- Fructigenine A
- IUPAC
- (1R,4S,7S,9R)-16-acetyl-4-benzyl-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
- English name
- Puberulin
- Molecular formula
- C27H29N3O3
- Molecular weight
- 443.54
Names & synonyms
PuberulinePuberulinFructigenine A144606-96-2(-)-Fructigenine A(1R,4S,7S,9R)-16-acetyl-4-benzyl-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-dione2H-Pyrazino(1',2':1,5)pyrrolo92,3-b)indole-1,4(3H,5aH)-dione, 6-acetyl-10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(phenylmethyl)-, (3S,5aR,10bR,11aS)-CHEMBL6152636SCHEMBL29391492DTXSID90926028127926-11-8AKOS040753652
Show more names
Rugulosuvine B4H-2,4a,5-Triaza-2,3,4bβ,5,9b,10-hexahydro-3β-benzyl-5-acetyl-9bβ-(1,1-dimethylallyl)indeno[2,1-a]indene-1,4(10aαH)-dione(3S)-3β-Benzyl-6-acetyl-10bβ-(1,1-dimethyl-2-propenyl)-1,3,4,5aβ,6,10b,11,11aα-octahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione
(3S,5aR,10bR,11aS)-6-acetyl-3-benzyl-10b-(2-methylbut-3-en-2-yl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dioneHY-120551Q16884481(3S,5aR,10bR,11aS)-6-Acetyl-3-benzyl-1-hydroxy-10b-(2-methylbut-3-en-2-yl)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-4-one2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(phenylmethyl)-, (3S,5aR,10bR,11aS)-6-Acetyl-3-benzyl-1-hydroxy-10b-(2-methylbut-3-en-2-yl)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-4-one
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 848
Chemistry & industry
Applications
DescriptionPuberuline is a diketopiperazine alkaloid from Penicillium piscarium.
UsesFructigenine A (compound 4) is a active product that can be isolated from marine-derived Penicillium sp.[1].
Suppliers1 total
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Related reactions
0 records
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Compound notes
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