6-acetonyldihydrochelerythrine
AlkaPlorer ID: AK002326
Synonym: None
IUPAC Name: 1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Structure
SMILES: COC1=CC=C2C3=CC=C4C=C5OCOC5=CC4=C3N(C)[C@H](CC(C)=O)C2=C1OC
InChI: InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3/t18-/m1/s1
InChIKey: VGTQLFWIJIABSU-GOSISDBHSA-N
Reference
6-acetonyl-N-methyl-dihydrodecarine, a new alkaloid from Zanthoxylum riedelianum
PubChem CID: 124300753
LOTUS: LTS0004484
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum riedelianum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.45000000000016
TPSA？: 57.23
MolLogP？: 4.722700000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|