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Renierol

CAT: 0931-T26058-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26058-02Size:25 mg
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CAS Number
16795-96-3
Target
Others, Xanthine Oxidase
Related Pathways
Metabolism, Others
Bioactivity
Renierol is a natural xanthine oxidase inhibitor with hypouricemic effects isolated from marine sponge Halicdona.SP.
Smiles
CC(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C
Molecular Formula
C30H38O
Molecular Weight
414.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Renierol

1-(Hydroxymethyl)-7-methoxy-6-methylisoquinoline-5,8-dione has been reported in Jorunna funebris with data available.

CAS Number16795-96-3
PubChem CID639533
IUPAC Name1-(hydroxymethyl)-7-methoxy-6-methylisoquinoline-5,8-dione
Molecular FormulaC12H11NO4
Molecular Weight233.22
XLogP0.1
Topological Polar Surface Area76.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity388
SMILES
CC1=C(C(=O)C2=C(C1=O)C=CN=C2CO)OC
InChI
InChI=1S/C12H11NO4/c1-6-10(15)7-3-4-13-8(5-14)9(7)11(16)12(6)17-2/h3-4,14H,5H2,1-2H3
InChIKey
RKJCLRAJHCIHAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Renierol
CAS: 16795-96-3
CID: 639533
Formula: C12H11NO4
MW: 233.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.22
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass233.06880783
Monoisotopic Mass233.06880783
Topological Polar Surface Area76.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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