seneciphylline
AlkaPlorer ID: AK005537
Synonym: '', 'Jacodine', 'Seneciphylline', 'Spartioidine', 'spartioidine', '?-Longilobine'
IUPAC Name: (1R,4Z,7R,17S)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@@H]23
InChI: InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15+,18-/m1/s1
InChIKey: FCEVNJIUIMLVML-GTXMFSIISA-N
Reference
Alkaloids of the plant Senecio subalpinus KOCH
PubChem CID: 6560199
LOTUS: LTS0088451
SuperNatural Ⅲ: SN0081766-04
NPASS: NPC47857
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea maritima | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 333.384
TPSA？: 76.07
MolLogP？: 1.1128999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 15848.9 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 31622.8 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 44668.4 | nM | None |
| None | Unchecked | Potency | 1122.0 | nM | None |