(+)-2'-Norcocsuline
AlkaPlorer ID: AK028837
Synonym: "(+)-O12'-Demethyltrilobine", "(+)-2'-norcocsuline", "12'-O-Nortrilobine"
IUPAC Name: (8S,21S)-27-methoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
Structure
SMILES: COC1=CC2=C3C4=C1OC1=C(C=C5C(=C1)CCN(C)[C@H]5CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3NCC2)O4
InChI: InChI=1S/C34H32N2O5/c1-36-12-10-21-16-29-30-18-24(21)26(36)14-20-5-8-27(37)28(15-20)39-23-6-3-19(4-7-23)13-25-32-22(9-11-35-25)17-31(38-2)33(40-29)34(32)41-30/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3/t25-,26-/m0/s1
InChIKey: AVICOTFUCGWABJ-UIOOFZCWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachygone dasycarpa | Pachygone | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 548.6390000000001
TPSA？: 72.42000000000002
MolLogP？: 6.605700000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 3800.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 48.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 281.0 | nM | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 14.0 | None | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 79.0 | None | 10.1021/np980144f |