(+)-Kopsoffine
AlkaPlorer ID: AK029687
Synonym: 'N1-Demethylpleiomutine', 'Norpleiomutine', 'Kopsoffine', '(-)-Norpleiomutine'
IUPAC Name: methyl (1R,9R,16R,18R,21S)-6-[(15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
Structure
SMILES: CC[C@@]12CCCN3CCC4=C([C@@H]31)N(C1=CC=CC=C41)[C@@H](C1=CC=C3N[C@@]45CC[C@]6(CCCN7CC[C@@]4(C3=C1)[C@@H]76)C[C@H]5C(=O)OC)C2
InChI: InChI=1S/C40H48N4O2/c1-3-37-13-6-18-42-20-12-27-26-8-4-5-9-31(26)44(33(27)34(37)42)32(24-37)25-10-11-30-28(22-25)39-17-21-43-19-7-14-38(36(39)43)15-16-40(39,41-30)29(23-38)35(45)46-2/h4-5,8-11,22,29,32,34,36,41H,3,6-7,12-21,23-24H2,1-2H3/t29-,32+,34+,36-,37-,38+,39+,40+/m0/s1
InChIKey: BIJHVDNGQCIFEQ-GXVLEKNJSA-N
Reference
Monoterpene Alkaloids from<i>Kopsia macrophylla</i>
PubChem CID: 102150443
LOTUS: LTS0032201
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia officinalis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 616.8500000000004
TPSA？: 49.74
MolLogP？: 6.967100000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|