(E)-N-(8-hydroxy-3,6-disulfonaphthalen-1-yl)benzenecarboximidic acid
AlkaPlorer ID: AK114170
Synonym: None
IUPAC Name: 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid
Structure
SMILES: O=S(=O)(O)C1=CC2=CC(S(=O)(=O)O)=CC(N=C(O)C3=CC=CC=C3)=C2C(O)=C1
InChI: InChI=1S/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)
InChIKey: RKKZDGOUSIOSIY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Camellia oleifera | Camellia | Theaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.4240000000001
TPSA？: 161.55999999999997
MolLogP？: 2.6751000000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | IC50 | 27000.0 | nM | 10.1021/jm800739m |