thebaine
AlkaPlorer ID: AK002222
Synonym: 'paramorphine', '(5R,9R,13S)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien', 'Thebaine', '4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien', '3-O-methyl-oripavin', 'Paramorphine', '(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan', '(-)-Thebaine'
IUPAC Name: (4S,7aS,12bR)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Structure
SMILES: COC1=CC=C2[C@@H]3CC4=C5C(=C(OC)C=C4)O[C@H]1[C@]25CCN3C
InChI: InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m0/s1
InChIKey: FQXXSQDCDRQNQE-MJXNMMHHSA-N
Reference
Papaver Bracteatum Lindl: Population Arya II
PubChem CID: 5421845
LOTUS: LTS0249249
SuperNatural Ⅲ: SN0093155-06
NPASS: NPC73504
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Papaver somniferum | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aloe microstigma | Aloe | Asphodelaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.3810000000001
TPSA？: 30.93
MolLogP？: 2.4245
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|