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9-Methoxycanthin-6-one - 10mM in DMSO, high purity , CAS No.74991-91-6
Basic Description
Synonyms
9-Methoxycanthin-6-one | 74991-91-6 | 8-Methoxycanthin-6-one | 9-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one | CHEBI:66699 | 13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | C15H10N2O2 | 13-methoxy-1,6-diazatetracyc
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Indolonaphthyridine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indolonaphthyridine alkaloids
Alternative Parents
Beta carbolines Naphthyridines Indolizines Indoles Anisoles Pyridinones Alkyl aryl ethers Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolo[3,2-1de][1,5]naphthyridine - Beta-carboline - Pyridoindole - Diazanaphthalene - Naphthyridine - Indole - Indole or derivatives - Indolizine - Pyrrolopyridine - Anisole - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.g. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine.
External Descriptors
aromatic ether - organic heterotetracyclic compound - indole alkaloid
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
INCHI
InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
InChIKey
OWCRARVHWCCRAG-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
Isomeric SMILES
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
Molecular Weight
250.25
Reaxy-Rn
4470310
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4470310&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
384.1±42.0° C at 760 mmHg
Molecular Weight
250.250 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
250.074 Da
Monoisotopic Mass
250.074 Da
Topological Polar Surface Area
44.100 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
422.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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