Imbiline 1; N-De-Me
AlkaPlorer ID: AK016953
Synonym: Hadranthine B
IUPAC Name: 8-methoxy-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=C2NC(=O)C(=O)C3=CC=NC(=C32)C2=CC=CC=C12
InChI: InChI=1S/C16H10N2O3/c1-21-15-9-5-3-2-4-8(9)12-11-10(6-7-17-12)14(19)16(20)18-13(11)15/h2-7H,1H3,(H,18,20)
InChIKey: UYJMICWYUQYHRJ-UHFFFAOYSA-N
Reference
Antimalarial, Cytotoxic, and Antifungal Alkaloids from <i>Duguetia hadrantha</i>
PubChem CID: 10401313
CAS: 265311-72-6
LOTUS: LTS0270709
SuperNatural Ⅲ: SN0383437
COCONUT: CNP0209162
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia hadrantha | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 278.267
TPSA？: 68.28999999999999
MolLogP？: 2.5314000000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-549 | IC50 | 6.6 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | HL-60 | IC50 | 12.5 | 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 | 4.2 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | KB | IC50 | 6.4 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | SK-MEL | IC50 | 3.0 | ug.mL-1 | 10.1021/np000436s |
| Homo sapiens | SK-OV-3 | IC50 | 3.6 | ug.mL-1 | 10.1021/np000436s |
| None | Unchecked | Ratio IC50 | 3.0 | None | 10.1021/np000436s |