(1R,4S,5R,6R,7S,17R)-4,7-dihydroxy-7-(hydroxymethyl)-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
AlkaPlorer ID: AK054267
Synonym: None
IUPAC Name: (1R,4S,5R,6R,7S,17R)-4,7-dihydroxy-7-(hydroxymethyl)-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)(CO)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@@]1(C)O)[C@@H]23
InChI: InChI=1S/C18H27NO7/c1-10-11(2)18(24,9-20)16(22)25-8-12-4-6-19-7-5-13(14(12)19)26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17+,18-/m1/s1
InChIKey: KFGFNKWTWZSZML-MCCFIOHQSA-N
Reference
The senecio alkaloids. Part XIX. The isolation of chlorodeoxysceleratine
PubChem CID: 162911982
LOTUS: LTS0062744
SuperNatural Ⅲ: SN0184052-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio latifolius | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.414
TPSA？: 116.53000000000002
MolLogP？: -0.7840999999999985
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|