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Basic information
- CAS
116664-93-8- Standard SMILES
O=C1c2ccccc2-c2nccc3ccnc1c23- InChIKey
BWQKHOMAOVUASZ-UHFFFAOYSA-N- Molecular formula
- C15H8N2O
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.06366288
Overview
Sampangine is a copyrine alkaloid with formula C15H8N2O, extracted from several plants including the stem bark of Cananga odorata. It is a heme biosynthesis inhibitor and exhibits antifungal and anticancer properties. It has a role as an antifungal agent and a plant metabolite. It is an alkaloid and an organic heterotetracyclic compound.
Names & identifiers
- Preferred name
- 7H-Naphtho(1,2,3-ij)(2,7)naphthyridin-7-one
- IUPAC
- 10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Names & synonyms
Sampangine116664-93-8F1EAG7D1387H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one1,6-Diaza-benzo(de)anthracen-7-oneSAMPANGINCHEBI:676061,6-Diaza-benzo[de]anthracen-7-oneNSC-680736DTXSID3041118BC-1-217H-NAPHTHO(1,2,3-IJ)(2,7)NAPHTHYRIDIN-7-ONE
Show more names
10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one10,16-diazatetracyclo(7.7.1.0^(2,7).0^(13,17))heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one10,16-diazatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one10,16-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-oneRefChem:181106DTXCID1021118NSC680736UNII-F1EAG7D138
Database identifiers
- CAS
116664-93-8- PubChem CID
- 387195
- DTXSID
DTXSID3041118- ChEMBL
CHEMBL435201- ChEBI
CHEBI:67606- UNII
- F1EAG7D138
- Nikkaji
- J547.104D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
Melting Point210 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
14 records
Compound notes
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