3-Methoxysampangine
AlkaPlorer ID: AK180193
Synonym: ''
IUPAC Name: 14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Structure
SMILES: COC1=CN=C2C3=CC=CC=C3C(=O)C3=NC=CC1=C32
InChI: InChI=1S/C16H10N2O2/c1-20-12-8-18-14-9-4-2-3-5-10(9)16(19)15-13(14)11(12)6-7-17-15/h2-8H,1H3
InChIKey: FBVVMYZYZXYLIA-UHFFFAOYSA-N
Reference
3-Methoxysampangine, a novel antifungal copyrine alkaloid from Cleistopholis patens
PubChem CID: 122683
CAS: 128129-42-0
LOTUS: LTS0209756
SuperNatural Ⅲ: SN0081465
COCONUT: CNP0351057
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia hadrantha | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 262.268
TPSA？: 52.08
MolLogP？: 2.849800000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 0.78 | ug.mL-1 | 10.1021/jm00100a012 |
| Candida albicans | Candida albicans | IC50 | 3.0 | ug.mL-1 | 10.1021/np000436s |
| Candida albicans | Candida albicans | MIC | 1.56 | ug.mL-1 | 10.1021/jm00100a012 |
| Candida albicans | Candida albicans | MIC | 20.0 | ug.mL-1 | 10.1021/np000436s |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 0.65 | ug.mL-1 | 10.1021/np000436s |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 0.78 | ug.mL-1 | 10.1021/jm00100a012 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 0.78 | ug.mL-1 | 10.1021/np000436s |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 3.125 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | BT-549 | IC50 | nan | None | 10.1021/np000436s |
| Homo sapiens | HL-60 | IC50 | 7.2 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | IC50 | nan | None | 10.1021/np000436s |
| Homo sapiens | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | MIC | 12.5 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | KB | IC50 | nan | None | 10.1021/np000436s |
| Homo sapiens | SK-MEL | IC50 | 10.0 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | SK-OV-3 | IC50 | 10.0 | ug.mL-1 | 10.1021/np000436s |
| Mycobacterium intracellulare | Mycobacterium intracellulare | MIC | 1.56 | ug.mL-1 | 10.1021/jm00100a012 |
| Mycobacterium sp. | Mycobacterium sp. | MIC | 1.56 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.095 | ug.mL-1 | 10.1021/np000436s |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.28 | ug.mL-1 | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 15.0 | ug.mL-1 | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 20.0 | ug.mL-1 | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 25.0 | ug.mL-1 | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np000436s |
| None | Unchecked | Ratio | 0.6 | None | 10.1021/np000436s |
| None | Unchecked | Ratio IC50 | 17.0 | None | 10.1021/np000436s |
| None | Unchecked | Ratio IC50 | 50.0 | None | 10.1021/np000436s |