Axityrosinium
AlkaPlorer ID: AK289871
Synonym: [1-Carboxy-2-(4-hydroxyphenyl)ethyl]piperidinium methyl betaine
IUPAC Name: 3-(4-hydroxyphenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanoate
Structure
SMILES: C[N+]1(C(CC2=CC=C(O)C=C2)C(=O)[O-])CCCCC1
InChI: InChI=1S/C15H21NO3/c1-16(9-3-2-4-10-16)14(15(18)19)11-12-5-7-13(17)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H-,17,18,19)
InChIKey: GWOMWNYJMQGZLM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella polypoides | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.33699999999993
TPSA？: 60.36
MolLogP？: 0.6836999999999995
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|