(1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-one
AlkaPlorer ID: AK006748
Synonym: None
IUPAC Name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Structure
SMILES: COC1=CC=C2C[C@H]3N(C)CC[C@]45C2=C1O[C@H]4C(=O)C=C[C@@]35O
InChI: InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChIKey: YYCRAERBSFHMPL-XFKAJCMBSA-N
Reference
Alkaloids of Papaver bracteatum: 14-β-hydroxycodeinone, 14-β-hydroxycodeine and N-methylcorydaldine
PubChem CID: 9926820
CAS: 508-54-3
LOTUS: LTS0143188
SuperNatural Ⅲ: SN0463401-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Papaver bracteatum | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.353
TPSA？: 59.0
MolLogP？: 0.8241999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|