Dienone B
Basic information
- CAS
17194-81-9- Standard SMILES
NC(=O)CC1(O)C=C(Br)C(=O)C(Br)=C1- InChIKey
OPJJYFWUWHEWDE-UHFFFAOYSA-N- Molecular formula
- C8H7Br2NO3
- Average molar mass
- 324.95 g/mol
- Monoisotopic mass
- 322.87927
Overview
a cytotoxic secondary metabolite from tyrosine as isolated from the sponges Verongia aerophoba & Aplysina aerophoba; structure given in second source
Names & identifiers
- Preferred name
- Dienone B
- IUPAC
- 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
- English name
- dienone B
- Molecular formula
- C8H7Br2NO3
- Molecular weight
- 324.95408
Names & synonyms
Dienone B17194-81-9Dibromoverongia-quinol2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamideVERONGIAQUINOLAeroplysinin-1 dienone8V0PDK5CGM2,5-Cyclohexadiene-1-acetamide, 3,5-dibromo-1-hydroxy-4-oxo-NSC-2890743,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetamideDTXSID101691923',5'-Dibromo-1'-hydroxy-4'-oxocyclohexa-2',5'-dien-1'-yl-acetamide
Show more names
NSC289074
RefChem:133340DTXCID6091683NSC 289074UNII-8V0PDK5CGMDIBROMOVERONGIAQUINOLCHEMBL458693orb1986126SCHEMBL31746949
Database identifiers
- CAS
17194-81-9- PubChem CID
- 100324
- DTXSID
DTXSID10169192- ChEMBL
CHEMBL458693- UNII
- 8V0PDK5CGM
- Nikkaji
- J468.788D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- FDA UNII
- 8 V0PDK5CGM · 8V0PDK5CGM
Chemistry & industry
Applications
UsesDienone B is a marine algicide with antibiotic activity against both Gram-positive and Gram-negative marine bacteria[1].
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Related reactions
0 records
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Compound notes
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