Quassidine A
AlkaPlorer ID: AK006544
Synonym: None
IUPAC Name: 4,8-dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)cyclobutyl]-9H-pyrido[3,4-b]indole
Structure
SMILES: COC1=CC=CC2=C1NC1=C([C@@H]3CC[C@H]3C3=NC=C(OC)C4=C3NC3=CC=CC=C34)N=CC(OC)=C12
InChI: InChI=1S/C29H26N4O3/c1-34-20-10-6-8-18-24-22(36-3)14-31-27(29(24)33-25(18)20)16-12-11-15(16)26-28-23(21(35-2)13-30-26)17-7-4-5-9-19(17)32-28/h4-10,13-16,32-33H,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKey: MQTKEFAXTQTDJF-HZPDHXFCSA-N
Reference
Quassidines A−D, Bis-β-carboline Alkaloids from the Stems of <i>Picrasma quassioides</i>
PubChem CID: 46184320
LOTUS: LTS0026107
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picrasma quassioides | Picrasma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 478.5520000000002
TPSA？: 85.05
MolLogP？: 6.432600000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | IC50 | 88410.0 | nM | 10.1021/np900538r |
| Mus musculus | RAW264.7 | IC50 | 89390.0 | nM | 10.1021/np900538r |
| Mus musculus | RAW264.7 | IC50 | 100000.0 | nM | 10.1021/np900538r |