Pleiocarpine
AlkaPlorer ID: AK019388
Synonym: None
IUPAC Name: dimethyl (9R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
Structure
SMILES: COC(=O)[C@@H]1CC23CCCN4CC[C@@]5(C6=CC=CC=C6N(C(=O)OC)C15CC2)[C@@H]43
InChI: InChI=1S/C23H28N2O4/c1-28-18(26)16-14-21-8-5-12-24-13-11-22(19(21)24)15-6-3-4-7-17(15)25(20(27)29-2)23(16,22)10-9-21/h3-4,6-7,16,19H,5,8-14H2,1-2H3/t16-,19-,21?,22+,23?/m0/s1
InChIKey: SQVLFJQJOPEBAA-AUEHJUDRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia officinalis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.4870000000002
TPSA？: 59.08
MolLogP？: 3.090800000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | 3.1 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |