3-Amino-1,4-naphthoquinone-2-carboxylic acid; Me ester
AlkaPlorer ID: AK065349
Synonym: 2-Amino-3-(methoxycarbonyl)-1,4-naphthoquinone
IUPAC Name: methyl 1-hydroxy-3-imino-4-oxonaphthalene-2-carboxylate
Structure
SMILES: COC(=O)C1=C(N)C(=O)C2=CC=CC=C2C1=O
InChI: InChI=1S/C12H9NO4/c1-17-12(16)8-9(13)11(15)7-5-3-2-4-6(7)10(8)14/h2-5H,13H2,1H3
InChIKey: IXTNIIRZNKCDBS-UHFFFAOYSA-N
Reference
COCONUT: CNP0305097
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Morinda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Coptosapelta flavescens | Coptosapelta | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 231.207
TPSA？: 86.46000000000001
MolLogP？: 0.4514
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|