Phellibiline; Δ12-Isomer, Me ether
AlkaPlorer ID: AK309925
Synonym: O-Methylisophellibiline, 2,7-Dihydrohomo-β-erythroidine
IUPAC Name: 17-methoxy-5-oxa-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2(7),14-dien-4-one
Structure
SMILES: COC1CC=C2CCN3CCCC4=C(CC(=O)OC4)C23C1
InChI: InChI=1S/C17H23NO3/c1-20-14-5-4-13-6-8-18-7-2-3-12-11-21-16(19)9-15(12)17(13,18)10-14/h4,14H,2-3,5-11H2,1H3
InChIKey: KMUGWVTVAHQIOV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Phelline | Phellinaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phelline lucida | Phelline | Phellinaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 289.37500000000006
TPSA？: 38.77
MolLogP？: 2.2034
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|