Kopsamine
AlkaPlorer ID: AK389118
Synonym: None
IUPAC Name: dimethyl (12R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C3OCOC3=CC=C2[C@@]23CCN4CCCC5(CCC12[C@](O)(C(=O)OC)C5)[C@H]43
InChI: InChI=1S/C24H28N2O7/c1-30-19(27)23(29)12-21-6-3-10-25-11-9-22(18(21)25)14-4-5-15-17(33-13-32-15)16(14)26(20(28)31-2)24(22,23)8-7-21/h4-5,18,29H,3,6-13H2,1-2H3/t18-,21?,22+,23+,24?/m0/s1
InChIKey: GKPYWRMVBPHFHA-MGWNKOEUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia arborea | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.4950000000004
TPSA？: 97.77
MolLogP？: 1.9344
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | 5.6 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |