2-Amino-4-(3,4,5-trihydroxyphenyl)butanoic acid; 3',5'-Di-Me ether, N,N-di-Me
AlkaPlorer ID: AK287663
Synonym: 2-(Dimethylamino)-4-(4-hydroxy-3,5-dimethoxyphenyl)butanoic acid, Peltigerine
IUPAC Name: 2-(dimethylamino)-4-(4-hydroxy-3,5-dimethoxyphenyl)butanoic acid
Structure
SMILES: COC1=CC(CCC(C(=O)O)N(C)C)=CC(OC)=C1O
InChI: InChI=1S/C14H21NO5/c1-15(2)10(14(17)18)6-5-9-7-11(19-3)13(16)12(8-9)20-4/h7-8,10,16H,5-6H2,1-4H3,(H,17,18)
InChIKey: LPXCUMYLHYSSLE-UHFFFAOYSA-N
Reference
Distribution of New Quaternary Ammonium Compounds, Solorinine and Peltigerine, in the Peltigerales
PubChem CID: 101521658
CAS: 244247-54-9
LOTUS: LTS0227778
COCONUT: CNP0128305.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peltigera praetextata | Peltigera | Peltigeraceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 283.324
TPSA？: 79.23
MolLogP？: 1.3567999999999996
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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