Indeno(1,2,3-ij)(2,7)naphthyridine
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Basic information
- CAS
58786-39-3- Standard SMILES
c1ccc2c(c1)-c1nccc3ccnc-2c13- InChIKey
KIVUUVOREYMMFE-UHFFFAOYSA-N- Molecular formula
- C14H8N2
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.06874826
Overview
Eupolauridine is a natural product found particularly in Cananga odorata and Eupomatia laurina. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Indeno(1,2,3-ij)(2,7)naphthyridine
- IUPAC
- 2,8-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
- English name
- Eupolauridine
- Molecular formula
- C14H8N2
- Molecular weight
- 204.23
Names & synonyms
Eupolauridine58786-39-3Indeno(1,2,3-ij)(2,7)naphthyridineM3LXQ9G7MFIndeno[1,2,3-ij][2,7]naphthyridineDTXSID809743112,8-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene2,8-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-1,3,5(16),6,8,10,12,14-octaene2,8-diazatetracyclo(7.6.1.0^(5,16).0^(10,15))hexadeca-1,3,5,7,9(16),10(15),11,13-octaene2,8-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-1,3,5,7,9(16),10(15),11,13-octaeneRefChem:139508DTXCID201401740
Show more names
Canangine1,6-DiazafluorantheneCHEBI:67605EupolauridinEL Base 1UNII-M3LXQ9G7MFCHEMBL477708orb3023956
Database identifiers
- CAS
58786-39-3- PubChem CID
- 72486
- DTXSID
DTXSID80974311- ChEMBL
CHEMBL477708
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point156 - 157 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 153 · 153-155 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 399.9 · 399.9±15.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.10(Predicted)
- FDA UNII
- 3 LXQ9G7MF · M3LXQ9G7MF
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionAn uncharacterized alkaloid, canangine has recently been isolated from the bark of Cananga odorata.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A natural product found particularly in Cananga odorata and Eupomatia laurina.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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