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5-Hydroxy-canthin-6-one

CAT: 0931-TN3122-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3122-01Size:1 mg
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CAS Number
64118-73-6
Target
Others
Related Pathways
Others
Bioactivity
5-Hydroxy-canthin-6-one is a natural product for research related to life sciences. The catalog number is TN3122 and the CAS number is 64118-73-6.
Smiles
O=C1C(O)=CC2=NC=CC=3C4=CC=CC=C4N1C23
Molecular Formula
C14H8N2O2
Molecular Weight
236.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy- has been reported in Ailanthus altissima and Simarouba amara with data available.

CAS Number64118-73-6
PubChem CID135735549
IUPAC Name3-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC14H8N2O2
Molecular Weight236.22
XLogP2.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity420
SMILES
C1=CC=C2C(=C1)C3=C4N2C(=O)C(=CC4=NC=C3)O
InChI
InChI=1S/C14H8N2O2/c17-12-7-10-13-9(5-6-15-10)8-3-1-2-4-11(8)16(13)14(12)18/h1-7,17H
InChIKey
HOTCTNQHGRFRLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-
CAS: 64118-73-6
CID: 135735549
Formula: C14H8N2O2
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass236.058577502
Monoisotopic Mass236.058577502
Topological Polar Surface Area55.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity420
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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