Dermacozine J
AlkaPlorer ID: AK294888
Synonym: None
IUPAC Name: 2-acetamido-3-[(7-benzoyl-4,9-dicarbamoyl-5-methyl-10H-phenazin-1-yl)sulfanyl]propanoic acid
Structure
SMILES: CC(O)=NC(CSC1=C2NC3=C(C(=N)O)C=C(C(=O)C4=CC=CC=C4)C=C3N(C)C2=C(C(=N)O)C=C1)C(=O)O
InChI: InChI=1S/C27H25N5O6S/c1-13(33)30-18(27(37)38)12-39-20-9-8-16(25(28)35)23-22(20)31-21-17(26(29)36)10-15(11-19(21)32(23)2)24(34)14-6-4-3-5-7-14/h3-11,18,31H,12H2,1-2H3,(H2,28,35)(H2,29,36)(H,30,33)(H,37,38)
InChIKey: ZSWYLEPUUBUTJS-UHFFFAOYSA-N
Reference
PubChem CID: 76317496
LOTUS: LTS0011950
NPASS: NPC471741
COCONUT: CNP0316075.1
{NPAtlas: NPA009536
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dermacoccus abyssi | Dermacoccus | Dermacoccaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 547.5930000000003
TPSA？: 190.39
MolLogP？: 5.030940000000002
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Radical scavenging activity | IC50 | 19600.0 | nM | 10.1021/np400952d |