Amalorin
Basic information
- CAS
75969-83-4- Standard SMILES
O=c1cccc2c1c1cc[nH]c3ccc(=O)n2c31- InChIKey
IZNXKZBIIFOWPU-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.0585775
Overview
Amalorin is an alkaloid and an organic heterotetracyclic compound.
Names & identifiers
- Preferred name
- Amalorin
- IUPAC
- 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione
- English name
- 11-Hydroxycanthin-6-one
- Molecular formula
- C14H8N2O2
- Molecular weight
- 236.23
Names & synonyms
AmalorinRefChem:107662611-Hydroxycanthin-6-one75969-83-41,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dioneMLS000574959C09212AC1L7M1T11-hydroxylcanthin-6-one11-hydroxy-canthin-6-one9-hydroxy-canthin-16-oneCHEBI:715
Show more names
CANTHIN-6-ONE, 11-HYDROXY-6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 11-hydroxy-
CHEMBL504142orb1683936SCHEMBL31238407DTXSID50320200CHEBI:165177HMS2268C24NSC356209TN2583
Database identifiers
- CAS
75969-83-4- PubChem CID
- 337601
- DTXSID
DTXSID50320200- ChEMBL
CHEMBL504142- ChEBI
CHEBI:165177- Nikkaji
- J264.640D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- Melting point
- 327 · 327-329 °C
- Boiling point
- 410.1 · 410.1±45.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 8.62 · 8.62±0.20(Predicted)
Chemistry & industry
Applications
Uses11-Hydroxycanthin-6-one, a canthin-6-one (HY-N3536) alkaloid, is an antitumor agent which shows potent cytotoxic activity[1][2].
Additional notes
DefinitionChEBI: Amalorin is an organic heterotetracyclic compound and an alkaloid.
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