None
AlkaPlorer ID: AK323525
Synonym: None
IUPAC Name: (1R,9R,16R,18R,21S)-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Structure
SMILES: C[N+]12CCC[C@]34CC[C@@]5(NC6=CC=CC=C6[C@]5(CC1)[C@H]32)[C@H](C(=O)[O-])C4
InChI: InChI=1S/C21H26N2O2/c1-23-11-4-7-19-8-9-21(15(13-19)17(24)25)20(10-12-23,18(19)23)14-5-2-3-6-16(14)22-21/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+,23?/m0/s1
InChIKey: WHGVBUUDZLTMQW-SRRBXEMYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia officinalis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4510000000001
TPSA？: 52.16
MolLogP？: 1.6513999999999995
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | T-cell line | IC50 | 21600.0 | nM | 10.1021/acs.jnatprod.6b00697 |