(+)-N-Methylapateline
AlkaPlorer ID: AK017036
Synonym: '(+)-Trigilletine', 'Trigilletine', "1'-Epicocsuline", 'Cocsulin', '(+)-Cocsuline', '(+)-Efirine', '(+)-N-Methylapateline', 'N-Methylapateline', 'Efirine'
IUPAC Name: (8R,21S)-27-methoxy-7,22-dimethyl-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]3N(C)CC2)O4
InChI: InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)15-21-6-9-28(38)29(16-21)40-24-7-4-20(5-8-24)14-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3/t26-,27+/m1/s1
InChIKey: GOYCVNCWKXBQBF-SXOMAYOGSA-N
Reference
The alkaloidal profile of cocculus pendulus
PubChem CID: 14482093
LOTUS: LTS0141924
SuperNatural Ⅲ: SN0111533-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albertisia delagoensis | Albertisia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.6660000000002
TPSA？: 63.63000000000001
MolLogP？: 6.947900000000009
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | U-937 | Activity | 108.0 | % | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | FC | 0.8 | None | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | IC50 | 50000.0 | nM | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | MED | 50.0 | uM | 10.1016/j.bmc.2012.06.017 |