(1S,4S,5R,6S,7S,17S)-7-(chloromethyl)-4,7-dihydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
AlkaPlorer ID: AK194485
Synonym: None
IUPAC Name: (1S,4S,5R,6S,7S,17S)-7-(chloromethyl)-4,7-dihydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C[C@@H]1[C@H](C)[C@@](O)(CCl)C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@@]1(C)O)[C@H]23
InChI: InChI=1S/C18H26ClNO6/c1-10-11(2)18(24,9-19)16(22)25-8-12-4-6-20-7-5-13(14(12)20)26-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11+,13+,14+,17+,18+/m1/s1
InChIKey: GNURZNZKAWCDSY-ADPYHPOGSA-N
Reference
The senecio alkaloids. Part XIX. The isolation of chlorodeoxysceleratine
PubChem CID: 162903450
LOTUS: LTS0056970
SuperNatural Ⅲ: SN0110661-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio latifolius | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.8600000000002
TPSA？: 96.3
MolLogP？: 0.4624
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|