dregamine
AlkaPlorer ID: AK002660
Synonym: '(-)-Tabernemontanine', 'MLS000728624', 'tabernaemontanine', '(-)-Dregamine', '20-Epitabernemontanine', 'tabernaemontanin', 'tabernemontanine', 'MLS000737276', 'Tabernaemontanin', '(-)-tabernemontanine', '(-)-tabernaemontanine', 'Dregamine', '20-epitabernemontanine', '20-epidregamine', '(-)-Tabernaemontanine', '20-Epidregamine\nTabernaemontanin\nTabernamontanine\nTabernaemontanine\n(-)-Tabernemontanine\nVobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, (20.beta.)-\nTabernemontanine', 'MLSMR', '(-)-dregamine', 'Tabernaemontanine', 'SMR000470803', 'SMR000528498', '20-Epidregamine'
IUPAC Name: methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: CC[C@H]1CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)C(=O)C[C@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17-,19-/m0/s1
InChIKey: FFVRRQMGGGTQRH-HBMYEMETSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 62.400000000000006
MolLogP？: 3.042400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4