erucifoline
AlkaPlorer ID: AK013354
Synonym: 'Erucifoline A', 'Alkaloid S-C'
IUPAC Name: (5R,7S,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
Structure
SMILES: C/C=C1/C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
InChI: InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+/m1/s1
InChIKey: NOQVBHHOUTTZGE-LUZNJDLOSA-N
Reference
Alkaloids from Senecio aquaticus
PubChem CID: 76308652
LOTUS: LTS0048021
SuperNatural Ⅲ: SN0251202-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea vulgaris | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.3830000000001
TPSA？: 88.6
MolLogP？: 0.3256999999999999
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | CHO | EC50 | nan | None | 10.1016/jbse.2007.08.015 |
| Lactuca sativa | Lactuca sativa | Inhibition | 50.0 | % | 10.1016/jbse.2007.08.015 |
| Lactuca sativa | Lactuca sativa | Inhibition | nan | % | 10.1016/jbse.2007.08.015 |
| Leptinotarsa decemlineata | Leptinotarsa decemlineata | EC50 | 50.0 | microg/cm2 | 10.1016/jbse.2007.08.015 |
| Myzus persicae | Myzus persicae | Activity | 31.0 | % | 10.1016/jbse.2007.08.015 |
| Rhopalosiphum padi | Rhopalosiphum padi | Activity | 43.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | 102.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | 106.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | EC50 | 50.0 | microg/cm2 | 10.1016/jbse.2007.08.015 |
| None | ADMET | EC50 | nan | None | 10.1016/jbse.2007.08.015 |