None
AlkaPlorer ID: AK323524
Synonym: None
IUPAC Name: (1R,4S,12R,13S,16S)-7-methoxy-5-methoxycarbonyl-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4-carboxylic acid
Structure
SMILES: COC(=O)N1C2=C(C=CC=C2OC)[C@@]23[C@H]4CN5CCC[C@@](CC[C@]12C(=O)O)(CC4=O)[C@H]53
InChI: InChI=1S/C23H26N2O6/c1-30-16-6-3-5-13-17(16)25(20(29)31-2)22(19(27)28)9-8-21-7-4-10-24-12-14(15(26)11-21)23(13,22)18(21)24/h3,5-6,14,18H,4,7-12H2,1-2H3,(H,27,28)/t14-,18-,21+,22+,23-/m0/s1
InChIKey: CYMUTCRYSHBLAO-FWNJRAMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia officinalis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.46900000000034
TPSA？: 96.38
MolLogP？: 2.1900000000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | T-cell line | IC50 | 27800.0 | nM | 10.1021/acs.jnatprod.6b00697 |