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Renierone

CAT: 0013-GTR19224462-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224462-01Size:100 mg
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Description
Renierone is a secondary metabolite with antimicrobial properties, originally derived from the marine sponge Reniera sp. It serves as a valuable research tool for studying microbial inhibition and exploring natural product chemistry in both in vitro and cell-based assays.
CAS Number
73777-65-8
Field of Research
Infectious Disease & Virology
Smiles
C (OC (/C (=C\C) /C) =O) C1=C2C (C (=O) C (C) =C (OC) C2=O) =CC=N1
Molecular Formula
C17H17NO5
Molecular Weight
315.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Renierone

Renierone has been reported in Xestospongia, Cribrochalina, and Reniera with data available.

CAS Number73777-65-8
PubChem CID11232298
IUPAC Name(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
Molecular FormulaC17H17NO5
Molecular Weight315.32
XLogP1.9
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity590
SMILES
C/C=C(/C)\C(=O)OCC1=NC=CC2=C1C(=O)C(=C(C2=O)C)OC
InChI
InChI=1S/C17H17NO5/c1-5-9(2)17(21)23-8-12-13-11(6-7-18-12)14(19)10(3)16(22-4)15(13)20/h5-7H,8H2,1-4H3/b9-5-
InChIKey
JGSPEFLRDJUZIE-UITAMQMPSA-N
Chemical Structure
2D Structure
2D structure of Renierone
CAS: 73777-65-8
CID: 11232298
Formula: C17H17NO5
MW: 315.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.32
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass315.11067264
Monoisotopic Mass315.11067264
Topological Polar Surface Area82.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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