Shinorine; 11-Deoxy
AlkaPlorer ID: AK313491
Synonym: Mycosporin-Gly-Ala, 11-Deoxyshinorine, 11-Deoxymytilin A
IUPAC Name: 2-[[3-(carboxymethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]propanoic acid
Structure
SMILES: COC1=C(NCC(=O)O)CC(O)(CO)CC1=NC(C)C(=O)O
InChI: InChI=1S/C13H20N2O7/c1-7(12(19)20)15-9-4-13(21,6-16)3-8(11(9)22-2)14-5-10(17)18/h7,14,16,21H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKey: UEJOFXGVYHZSGN-UHFFFAOYSA-N
Reference
CAS: 1812869-28-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinosynnema mirum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 316.31000000000006
TPSA？: 148.68
MolLogP？: -1.0500999999999991
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|