Dunaliine A; (S)-form
AlkaPlorer ID: AK297105
Synonym: None
IUPAC Name: 2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
Structure
SMILES: COC1=C(C)C(=O)C(=C(N)CCC2=CC=C(O)C=C2)C(=O)C1(C)O
InChI: InChI=1S/C18H21NO5/c1-10-15(21)14(16(22)18(2,23)17(10)24-3)13(19)9-6-11-4-7-12(20)8-5-11/h4-5,7-8,20,23H,6,9,19H2,1-3H3
InChIKey: GDGWAQASCRVSMR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmos | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.36800000000005
TPSA？: 109.85
MolLogP？: 1.3608
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|