Phalarine
AlkaPlorer ID: AK147989
Synonym: '(-)-Phalarine'
IUPAC Name: 1-[(1S,12R)-8-methoxy-21-methyl-11-oxa-6,19,21-triazahexacyclo[10.7.4.01,12.02,10.03,7.013,18]tricosa-2,4,7,9,13,15,17-heptaen-4-yl]-N,N-dimethylmethanamine
Structure
SMILES: COC1=CC2=C(C3=C1NC=C3CN(C)C)[C@]13CN(C)CC[C@@]1(O2)C1=CC=CC=C1N3
InChI: InChI=1S/C24H28N4O2/c1-27(2)13-15-12-25-22-19(29-4)11-18-21(20(15)22)23-14-28(3)10-9-24(23,30-18)16-7-5-6-8-17(16)26-23/h5-8,11-12,25-26H,9-10,13-14H2,1-4H3/t23-,24-/m1/s1
InChIKey: ACLHIKYUUPINNW-DNQXCXABSA-N
Reference
New Alkaloids from <i>Phalaris</i> Spp.: A Cause for Concern?
PubChem CID: 16069528
LOTUS: LTS0123318
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phalaris coerulescens | Phalaris | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 404.5140000000001
TPSA？: 52.760000000000005
MolLogP？: 3.4823000000000013
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|