12-Methoxypleiocarpine
AlkaPlorer ID: AK000454
Synonym: None
IUPAC Name: dimethyl (9R,18R,21S)-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate
Structure
SMILES: COC1=CC=CC2=C1N(C34[C@]25CCN6[C@H]5C(CCC6)(CC3)C[C@H]4C(=O)OC)C(=O)OC
InChI: InChI=1S/C24H30N2O5/c1-29-17-7-4-6-15-18(17)26(21(28)31-3)24-10-9-22(14-16(24)19(27)30-2)8-5-12-25-13-11-23(15,24)20(22)25/h4,6-7,16,20H,5,8-14H2,1-3H3/t16-,20-,22?,23+,24?/m0/s1
InChIKey: SBFBQBJIFGCIHE-OTTONGLGSA-N
Reference
New broad-spectrum antibacterial and antifungal alkaloids from Kopsia hainanensis
PubChem CID: 44326417
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia hainanensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Kopsia griffithii | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.51300000000026
TPSA？: 68.31
MolLogP？: 3.099400000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | 21.0 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |