Homomoschatoline
AlkaPlorer ID: AK005447
Synonym: None
IUPAC Name: 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Structure
SMILES: COC1=C(OC)C2=CC=NC3=C2C(=C1OC)C1=CC=CC=C1C3=O
InChI: InChI=1S/C19H15NO4/c1-22-17-12-8-9-20-15-13(12)14(18(23-2)19(17)24-3)10-6-4-5-7-11(10)16(15)21/h4-9H,1-3H3
InChIKey: WXGQWNXTPSGPIX-UHFFFAOYSA-N
Reference
Isoquinoline Alkaloids from Duguetia Vallicola Stem Bark with Antiplasmodial Activity
PubChem CID: 145779
CAS: 5140-38-5
LOTUS: LTS0084796
SuperNatural Ⅲ: SN0422482
COCONUT: CNP0176301
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 321.332
TPSA？: 57.65
MolLogP？: 3.472000000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | nan | None | 10.1021/np100013r |
| Candida dubliniensis | Candida dubliniensis | MIC | 12.5 | ug.mL-1 | 10.1021/np100013r |
| Candida dubliniensis | Candida dubliniensis | MIC | 25.0 | ug.mL-1 | 10.1021/np100013r |
| Candida parapsilosis | Candida parapsilosis | MIC | nan | None | 10.1021/np100013r |
| Candida tropicalis | Candida tropicalis | MIC | nan | None | 10.1021/np100013r |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1021/np100013r |
| Homo sapiens | KB | ED50 | 10.0 | ug ml-1 | 10.1021/np50019a011 |
| Kocuria rhizophila | Kocuria rhizophila | MIC | nan | None | 10.1021/np100013r |
| Leishmania braziliensis | Leishmania braziliensis | IC50 | 320800.0 | nM | 10.1021/np050422s |
| Leishmania guyanensis | Leishmania guyanensis | IC50 | 103700.0 | nM | 10.1021/np050422s |
| Mus musculus | RAW264.7 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00146 |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC | nan | None | 10.1021/np100013r |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | nan | None | 10.1021/np100013r |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | 500.0 | ug ml-1 | 10.1021/np50103a009 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np50103a009 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np100013r |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 25.0 | ug.mL-1 | 10.1021/np100013r |
| None | ADMET | CC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | NON-PROTEIN TARGET | Activity | 0.5 | None | 10.1021/np100013r |
| None | T-cell | IC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |