Palythine; 3-N-(2-Hydroxy-1-methylethyl)
AlkaPlorer ID: AK309253
Synonym: Palythinol
IUPAC Name: 2-[[5-hydroxy-5-(hydroxymethyl)-3-(1-hydroxypropan-2-ylamino)-2-methoxycyclohex-2-en-1-ylidene]amino]acetic acid
Structure
SMILES: COC1=C(NCC(=O)O)CC(O)(CO)CC1=NC(C)CO
InChI: InChI=1S/C13H22N2O6/c1-8(6-16)15-10-4-13(20,7-17)3-9(12(10)21-2)14-5-11(18)19/h8,14,16-17,20H,3-7H2,1-2H3,(H,18,19)
InChIKey: NKJVQFFOGWSVTJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palythoa tuberculosa | Palythoa | Sphenopidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 302.32700000000006
TPSA？: 131.61
MolLogP？: -1.142399999999999
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|