Novacine
AlkaPlorer ID: AK018709
Synonym: None
IUPAC Name: (1S,10S,22R,23R,24S)-16,17-dimethoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione
Structure
SMILES: COC1=C(OC)C=C2C(=C1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15
InChI: InChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3/t14-,19-,22-,23-,24+/m0/s1
InChIKey: POLBLONFVZXVPI-SVFVWZOVSA-N
Reference
In Vitro Activities of <i>Strychnos</i> Alkaloids and Extracts against <i>Plasmodium falciparum</i>
PubChem CID: 12314414
LOTUS: LTS0180715
SuperNatural Ⅲ: SN0290940-05
NPASS: NPC10732
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos icaja | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 424.4970000000002
TPSA？: 68.31
MolLogP？: 1.9264
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/np300339r |