Panganensine R
AlkaPlorer ID: AK094566
Synonym: '(+)-Panganensine S', '(+)-Panganensine R', 'Panganensine S'
IUPAC Name: [(1S,9S,10R,11R,17S)-12-[(E)-2-[(4S,12S,13R,16S,17S,18S,20S,21S)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5,7,9-trien-21-yl]ethenyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,12-tetraen-10-yl]methanol
Structure
SMILES: C[C@@H]1OC[C@@H]2[C@@H]3C[C@@H]4N(CC[C@@]45C4=CC=CC=C4N[C@@H]25)[C@@H](/C=C/C2=CN4CC[C@]56C7=CC=CC=C7N[C@H]5[C@H](CO)[C@H]2C[C@H]46)[C@H]31
InChI: InChI=1S/C38H44N4O2/c1-21-34-24-17-33-38(28-7-3-5-9-30(28)40-36(38)26(24)20-44-21)13-15-42(33)31(34)11-10-22-18-41-14-12-37-27-6-2-4-8-29(27)39-35(37)25(19-43)23(22)16-32(37)41/h2-11,18,21,23-26,31-36,39-40,43H,12-17,19-20H2,1H3/b11-10+/t21-,23-,24-,25+,26+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
InChIKey: FMNWIRPKXNZZBL-AWBFDZBRSA-N
Reference
Alkaloids from root bark of Strychnos panganensis
PubChem CID: 162913727
LOTUS: LTS0001272
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos panganensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 588.7960000000002
TPSA？: 60.0
MolLogP？: 4.734500000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|