2,4-Diamino-3-hydroxybenzoic acid; N2,N4-Di-Me, Me ester
AlkaPlorer ID: AK238064
Synonym: Damascinine, Methyl 3-hydroxy-2,4-bis(methylamino)benzoate
IUPAC Name: methyl 3-hydroxy-2,4-bis(methylamino)benzoate
Structure
SMILES: CNC1=C(O)C(NC)=C(C(=O)OC)C=C1
InChI: InChI=1S/C10H14N2O3/c1-11-7-5-4-6(10(14)15-3)8(12-2)9(7)13/h4-5,11-13H,1-3H3
InChIKey: KUWNGKYAKRWUKJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella damascena | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 210.233
TPSA？: 70.59
MolLogP？: 1.2621999999999998
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|