6-acetonyl-N-methyl-dihydrodecarine
AlkaPlorer ID: AK024119
Synonym: None
IUPAC Name: 1-[(13R)-2-hydroxy-1-methoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Structure
SMILES: COC1=C(O)C=CC2=C1[C@@H](CC(C)=O)N(C)C1=C3C=C4OCOC4=CC3=CC=C21
InChI: InChI=1S/C23H21NO5/c1-12(25)8-17-21-14(6-7-18(26)23(21)27-3)15-5-4-13-9-19-20(29-11-28-19)10-16(13)22(15)24(17)2/h4-7,9-10,17,26H,8,11H2,1-3H3/t17-/m1/s1
InChIKey: UTNGZOZDCCIQFH-QGZVFWFLSA-N
Reference
6-acetonyl-N-methyl-dihydrodecarine, a new alkaloid from Zanthoxylum riedelianum
PubChem CID: 98042522
LOTUS: LTS0063862
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum riedelianum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.4230000000001
TPSA？: 68.23
MolLogP？: 4.419700000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|