Lapidilectine B
AlkaPlorer ID: AK051371
Synonym: None
IUPAC Name: methyl (1R,9R,12R,21R)-20-oxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3
InChI: InChI=1S/C21H22N2O4/c1-26-18(25)23-16-6-3-2-5-14(16)21-10-12-22-11-4-7-19(22)8-9-20(21,23)15(13-19)17(24)27-21/h2-7,15H,8-13H2,1H3/t15-,19+,20+,21+/m0/s1
InChIKey: GLOIILVAVSJIEX-LWILDLIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia grandifolia | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.41700000000014
TPSA？: 59.08
MolLogP？: 2.5783000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB/VJ300 | IC50 | 0.39 | ug.mL-1 | 10.1021/np200008g |