Kopsiyunnanine D
AlkaPlorer ID: AK013661
Synonym: None
IUPAC Name: (15R)-15-ethyl-11-(methoxymethyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
Structure
SMILES: CC[C@@]12CCCN(CCC3=C(CC1)N(COC)C1=CC=CC=C31)C2
InChI: InChI=1S/C21H30N2O/c1-3-21-11-6-13-22(15-21)14-10-18-17-7-4-5-8-19(17)23(16-24-2)20(18)9-12-21/h4-5,7-8H,3,6,9-16H2,1-2H3/t21-/m1/s1
InChIKey: BTMSPIIXHRUNDY-OAQYLSRUSA-N
Reference
Rhazinilam and Quebrachamine Derivatives from Yunnan <i>Kopsia arborea</i>
PubChem CID: 25243455
LOTUS: LTS0087650
SuperNatural Ⅲ: SN0035027-01
NPASS: NPC104483
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia arborea | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 326.48400000000004
TPSA？: 17.4
MolLogP？: 4.226100000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 30000.0 | nM | 10.1021/np800489e |
| Homo sapiens | HT-29 | IC50 | 30000.0 | nM | 10.1021/np800489e |