Pleiokomenine A
AlkaPlorer ID: AK000974
Synonym: None
IUPAC Name: methyl (1R,9S,16R,18S,21S)-6-[[(1R,9R,16R,21S)-18-methoxycarbonyl-2-methyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-trien-6-yl]methyl]-2-methyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
Structure
SMILES: CN1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)N([C@]56[C@]47CCN8[C@H]7[C@](CCC8)(CC5)CC6C(=O)OC)C)[C@]92[C@]11CC[C@@]3([C@@H]9N(CCC3)CC2)C[C@@H]1C(=O)OC
InChI: InChI=1S/C45H56N4O4/c1-46-34-9-7-28(24-30(34)42-17-21-48-19-5-11-40(38(42)48)13-15-44(42,46)32(26-40)36(50)52-3)23-29-8-10-35-31(25-29)43-18-22-49-20-6-12-41(39(43)49)14-16-45(43,47(35)2)33(27-41)37(51)53-4/h7-10,24-25,32-33,38-39H,5-6,11-23,26-27H2,1-4H3/t32-,33?,38+,39+,40-,41-,42+,43-,44-,45-/m1/s1
InChIKey: RJJDPKDKAKXJTE-USOAUOQFSA-N
Reference
Pleiokomenines A and B: Dimeric Aspidofractinine Alkaloids Tethered with a Methylene Group
PubChem CID: 137628515
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pleiocarpa mutica | Pleiocarpa | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.967
TPSA？: 65.56
MolLogP？: 5.812600000000006
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|