Conoflorine
Basic information
- CAS
15266-46-3- Standard SMILES
CC[C@]12CCc3[nH]c4ccccc4c3CCN(C[C@H]3O[C@H]31)C2- InChIKey
OGDFTQDRHAGLTB-GUDVDZBRSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Overview
Conoflorine has been reported in Trachelospermum jasminoides, Tabernanthe iboga, and other organisms with data available.
Names & identifiers
- Preferred name
- Conoflorine
- IUPAC
- (15R,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene
- English name
- (1aR,13S,13aS)-13-Ethyl-1a,4,5,10,11,12,13,13a-octahydro-2H-3,13-methanooxireno[9,10]azacycloundecino[5,4-b]indole
- Molecular formula
- C19H24N2O
- Molecular weight
- 296.41
Names & synonyms
Conoflorine15266-46-3DTXSID10165093(15R,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene2H-3,13-Methanooxireno(9,10)azacycloundecino(5,4-b)indole, 13-ethyl-1a,4,5,10,11,12,13,13a-octahydro-, (1aR,13S,13aS)-(15R,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo(13.4.1.04,12.05,10.016,18)icosa-4(12),5,7,9-tetraene2H-3,13-Methanooxireno[9,10]azacycloundecino[5,4-b]indole, 13-ethyl-1a,4,5,10,11,12,13,13a-octahydro-, (1aR,13S,13aS)-RefChem:127781DTXCID9087584CHEMBL496674SCHEMBL30045921BDBM50480290
Show more names
Aids003034Aids-003034Voaphylline(1aR,13S,13aS)-13-Ethyl-1a,4,5,10,11,12,13,13a-octahydro-2H-3,13-methanooxireno[9,10]azacycloundecino[5,4-b]indole
(1aR,13S,13aS)-13-Ethyl-1a,4,5,10,11,12,13,13a-octahydro-2H-3,13-methanooxireno[9,10]azacycloundecin(1aR,13R,13aS)-13-Ethyl-1a,4,5,10,11,12,13,13a-octahydro-2H-3,13-methanooxireno[9,10]azacycloundecino[5,4-b]indole
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Melting point
- 164 · 164-6°C
Chemistry & industry
Applications
DescriptionThe alkaloidal extract from the dried leaves of Voacanga africana, after chromatographic separation, yield this indole alkaloid which is purified by recrystallization from MeOH when it forms colourless needles. It has [α]578 + 28° (CHCI3) and gives an ultraviolet spectrum in EtOH with absorption maxima at 230, 285 and 290 mμ.
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Compound notes
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