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Canthin-6-one

CAT: 1410-M30962-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M30962-03Size:10 mg
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Description
Canthin-6-one (NSC 103003) is an alkaloid isolated from Allium neapolitanum with antibacterial activity and inhibitory effect against Mycobacterium tuberculosis.
CAS Number
479-43-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
220.2
Molecular Formula
C14H8N2O
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Canthin-6-One

Canthin-6-one is an indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. It has a role as a metabolite and an antimycobacterial drug. It is an organic heterotetracyclic compound, an indole alkaloid and an enone.

CAS Number479-43-6
PubChem CID97176
IUPAC Name1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC14H8N2O
Molecular Weight220.23
XLogP2.4
Topological Polar Surface Area34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity378
SMILES
C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3
InChI
InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
InChIKey
ZERVJPYNQLONEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Canthin-6-One
CAS: 479-43-6
CID: 97176
Formula: C14H8N2O
MW: 220.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.23
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass220.063662883
Monoisotopic Mass220.063662883
Topological Polar Surface Area34.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity378
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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HY-169067-0110-Methoxy-canthin-6-one
GTR19221942-015-Hydroxy-canthin-6-one
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