Phaeantharine
AlkaPlorer ID: AK416591
Synonym: None
IUPAC Name: 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Structure
SMILES: COC1=C(OC)C=C2C(CC3=CC=C(OC4=CC(CC5=[N+](C)C=CC6=CC(OC)=C(OC)C=C56)=CC=C4OC)C=C3)=[N+](C)C=CC2=C1
InChI: InChI=1S/C39H40N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-17,20-24H,18-19H2,1-7H3/q+2
InChIKey: IWKHGZDMTOKGQP-UHFFFAOYSA-N
Reference
Revised Structure of Phaeantharine
PubChem CID: 73053
CAS: 27670-80-0
LOTUS: LTS0031959
SuperNatural Ⅲ: SN0157065
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeanthus ebracteolatus | Phaeanthus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 632.7570000000002
TPSA？: 63.14000000000001
MolLogP？: 6.658900000000008
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 74.0 | ug.mL-1 | 10.1021/np50026a017 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 86.0 | ug.mL-1 | 10.1021/np50026a017 |