Kokusagine
AlkaPlorer ID: AK011728
Synonym: None
IUPAC Name: 10-methoxy-3,5,14-trioxa-16-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),7,10,12,15-hexaene
Structure
SMILES: COC1=C2C=COC2=NC2=C3OCOC3=CC=C12
InChI: InChI=1S/C13H9NO4/c1-15-11-7-2-3-9-12(18-6-17-9)10(7)14-13-8(11)4-5-16-13/h2-5H,6H2,1H3
InChIKey: SDPOFOYJCOPMMV-UHFFFAOYSA-N
Reference
Cycloartane Triterpenoid and Alkaloids from Ameidea SPP
PubChem CID: 5318829
CAS: 482-32-6
LOTUS: LTS0102936
SuperNatural Ⅲ: SN0342616
COCONUT: CNP0128687
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lunasia amara | Lunasia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 243.218
TPSA？: 53.72000000000001
MolLogP？: 2.718300000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np0401462 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 16.0 | ug.mL-1 | 10.1016/j.ejmech.2011.12.029 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 16.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114173 |