kopsiyunnanine C1
AlkaPlorer ID: AK045764
Synonym: '(-)-Kopsiyunnanine C1', 'Kopsiyunnanine C1'
IUPAC Name: (12R)-12-ethyl-17-(methoxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
Structure
SMILES: CC[C@]12CCCN3C(COC)=CC(=C31)C1=CC=CC=C1N=C(O)CC2
InChI: InChI=1S/C21H26N2O2/c1-3-21-10-6-12-23-15(14-25-2)13-17(20(21)23)16-7-4-5-8-18(16)22-19(24)9-11-21/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3,(H,22,24)/t21-/m1/s1
InChIKey: FGHROJSHRIKSBW-OAQYLSRUSA-N
Reference
Rhazinilam and Quebrachamine Derivatives from Yunnan <i>Kopsia arborea</i>
PubChem CID: 25227568
LOTUS: LTS0201232
SuperNatural Ⅲ: SN0084965-01
NPASS: NPC134586
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia arborea | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.45100000000014
TPSA？: 46.75
MolLogP？: 5.124900000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 5380.0 | nM | 10.1021/np800489e |
| Homo sapiens | HT-29 | IC50 | 4670.0 | nM | 10.1021/np800489e |