Imbiline 1
AlkaPlorer ID: AK069482
Synonym: None
IUPAC Name: 8-methoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione
Structure
SMILES: COC1=C2C3=C(C=CN=C3C3=CC=CC=C13)C(=O)C(=O)N2C
InChI: InChI=1S/C17H12N2O3/c1-19-14-12-11(15(20)17(19)21)7-8-18-13(12)9-5-3-4-6-10(9)16(14)22-2/h3-8H,1-2H3
InChIKey: QTEJCDJYVNJQSZ-UHFFFAOYSA-N
Reference
PubChem CID: 5276613
CAS: 139220-13-6
LOTUS: LTS0253037
SuperNatural Ⅲ: SN0314538
COCONUT: CNP0162623
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anaxagorea dolichocarpa | Anaxagorea | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Eupomatia bennettii | Eupomatia | Eupomatiaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Eupomatia laurina | Eupomatia | Eupomatiaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 292.29400000000004
TPSA？: 59.5
MolLogP？: 2.5557
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 9.0 | ug.mL-1 | 10.1021/np000436s |
| Candida albicans | Candida albicans | MIC | 50.0 | ug.mL-1 | 10.1021/np000436s |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 50.0 | ug.mL-1 | 10.1021/np000436s |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | nan | None | 10.1021/np000436s |
| Homo sapiens | BT-549 | IC50 | 10.0 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | SK-MEL | IC50 | 2.0 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | SK-OV-3 | IC50 | 5.0 | ug.mL-1 | 10.1021/np000436s |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.28 | ug.mL-1 | 10.1021/np000436s |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.55 | ug.mL-1 | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | nan | None | 10.1021/np000436s |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np000436s |
| None | Unchecked | Ratio IC50 | 8.7 | None | 10.1021/np000436s |
| None | Unchecked | Ratio IC50 | 17.0 | None | 10.1021/np000436s |