Cassine
AlkaPlorer ID: AK001096
Synonym: 'Cassine', '', '(-)-Cassine'
IUPAC Name: 12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
Structure
SMILES: CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1
InChI: InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
InChIKey: QPRMGHKASRLPJP-FGTMMUONSA-N
Reference
Racemochrysone, a Dihydroanthracenone from Senna racemosa
PubChem CID: 193405
CAS: 5227-24-7
LOTUS: LTS0164807
SuperNatural Ⅲ: SN0311836-02
NPASS: NPC89749
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senna spectabilis | Senna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 297.48299999999995
TPSA？: 49.33
MolLogP？: 3.977800000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 249.27 | ug.mL-1 | 10.1016/j.bmc.2018.10.032 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 11.96 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Leishmania amazonensis | Leishmania amazonensis | IC50 | 25.18 | ug.mL-1 | 10.1016/j.bmc.2018.10.032 |
| Leishmania major | Leishmania major | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmc.2018.10.032 |
| None | Unchecked | Ratio CC50/IC50 | 0.99 | None | 10.1016/j.bmc.2018.10.032 |