Flazine
AlkaPlorer ID: AK000721
Synonym: None
IUPAC Name: 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)C1=CC2=C(NC3=CC=CC=C32)C(C2=CC=C(CO)O2)=N1
InChI: InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
InChIKey: USBWYUYKHHILLZ-UHFFFAOYSA-N
Reference
Structures of flazin and YS, highly fluorescent compounds isolated from japanese soy sauce
PubChem CID: 5377686
CAS: 100041-05-2
LOTUS: LTS0143048
COCONUT: CNP0406562
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brucea javanica | Brucea | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 308.29300000000006
TPSA？: 99.35
MolLogP？: 3.166600000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus | Human immunodeficiency virus | EC50 | 2360.0 | nM | 10.1016/j.bmcl.2015.01.058 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 2360.0 | nM | 10.1021/acs.jnatprod.7b00390 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 2370.0 | nM | 10.1016/j.ejmech.2018.08.027 |
| None | ADMET | Ratio CC50/EC50 | 12.1 | None | 10.1021/acs.jnatprod.7b00390 |
| None | NON-PROTEIN TARGET | IC50 | 7.13 | ug.mL-1 | 10.1021/np100902f |
| None | NON-PROTEIN TARGET | IC50 | 21.62 | ug.mL-1 | 10.1021/np100902f |
| None | NON-PROTEIN TARGET | Inhibition | nan | % | 10.1021/np100902f |