2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; (S)-form, N,N,N-Tri-Me, Me ester
AlkaPlorer ID: AK285165
Synonym: 3,4-Dihydroxy-α-(methoxycarbonyl)-N,N,N-trimethylbenzeneethanaminium(1+), Sticticin
IUPAC Name: None
Structure
SMILES: COC(=O)C(CC1=CC(O)=C(O)C=C1)[N+](C)(C)C
InChI: InChI=1S/C13H19NO4/c1-14(2,3)10(13(17)18-4)7-9-5-6-11(15)12(16)8-9/h5-6,8,10H,7H2,1-4H3,(H-,15,16)/p+1
InChIKey: IZJRNEPQKQJNST-UHFFFAOYSA-O
Reference
CAS: 77035-53-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lobaria | Lobariaceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 254.306
TPSA？: 66.76
MolLogP？: 0.8880999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|