6-Demethoxypyrifoline
AlkaPlorer ID: AK015516
Synonym: None
IUPAC Name: 1-[(22S)-4-methoxy-2,12-diazahexacyclo[14.3.2.19,12.01,9.03,8.016,22]docosa-3(8),4,6-trien-2-yl]ethanone
Structure
SMILES: COC1=CC=CC2=C1N(C(C)=O)C13CCCC4(CCCN5CCC21[C@@H]54)CC3
InChI: InChI=1S/C23H30N2O2/c1-16(26)25-19-17(6-3-7-18(19)27-2)23-13-15-24-14-5-9-21(20(23)24)8-4-10-22(23,25)12-11-21/h3,6-7,20H,4-5,8-15H2,1-2H3/t20-,21?,22?,23?/m0/s1
InChIKey: QUJGDBXRYRHXEW-LEISRSHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma pyrifolium | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.50500000000017
TPSA？: 32.78
MolLogP？: 3.8705000000000034
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|