jacozine
AlkaPlorer ID: AK013332
Synonym: '12-hydroxy-13,19-didehydro-15,20-dihydro-15,20-epoxysenecionan-11,16-dione', '13,19-didehydrojacobine'
IUPAC Name: (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Structure
SMILES: C=C1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23
InChI: InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1
InChIKey: XCEPKQNOWNOSFH-CGPXFRKCSA-N
Reference
The Alkaloids of Senecio jacobaea L.
PubChem CID: 119052
CAS: 5532-23-0
LOTUS: LTS0257882
SuperNatural Ⅲ: SN0426191-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea vulgaris | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.38300000000004
TPSA？: 88.60000000000001
MolLogP？: 0.3241000000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|