Buflavine
AlkaPlorer ID: AK075836
Synonym: ''
IUPAC Name: 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
Structure
SMILES: COC1=C(OC)C=C2C(=C1)CN(C)CCC1=CC=CC=C12
InChI: InChI=1S/C18H21NO2/c1-19-9-8-13-6-4-5-7-15(13)16-11-18(21-3)17(20-2)10-14(16)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey: GETRAQVOIHRJTE-UHFFFAOYSA-N
Reference
PubChem CID: 10016689
CAS: 65762-70-1
LOTUS: LTS0114799
NPASS: NPC77087
COCONUT: CNP0158916
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Machaerium opacum | Machaerium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.371
TPSA？: 21.700000000000003
MolLogP？: 3.3587000000000025
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Kd | 102.33 | nM | 10.1016/j.bmc.2021.116560 |
| None | Unchecked | Kd | 107.15 | nM | 10.1016/j.bmc.2021.116560 |