N-Acetylstepharine
AlkaPlorer ID: AK010844
Synonym: 'MLS000569484', 'MLSMR', 'SMR000174096', 'N-Acetylstepharine'
IUPAC Name: (4R)-5-acetyl-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Structure
SMILES: COC1=CC2=C3C(=C1OC)C1(C=CC(=O)C=C1)C[C@H]3N(C(C)=O)CC2
InChI: InChI=1S/C20H21NO4/c1-12(22)21-9-6-13-10-16(24-2)19(25-3)18-17(13)15(21)11-20(18)7-4-14(23)5-8-20/h4-5,7-8,10,15H,6,9,11H2,1-3H3/t15-/m1/s1
InChIKey: QHDTTYCECGBECX-OAHLLOKOSA-N
Reference
The Alkaloids of Stephania cepharantha HAYATA cultivated in Japan (ii)
PubChem CID: 759300
LOTUS: LTS0110113
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stephania rotunda | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.39100000000013
TPSA？: 55.84
MolLogP？: 2.4861000000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|