(1R,5S,16R)-5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
AlkaPlorer ID: AK253220
Synonym: None
IUPAC Name: (1R,5S,16R)-5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: C[C@]1(O)CC(=O)OCC2=CCN3CC[C@@H](OC(=O)C1)[C@@H]23
InChI: InChI=1S/C14H19NO5/c1-14(18)6-11(16)19-8-9-2-4-15-5-3-10(13(9)15)20-12(17)7-14/h2,10,13,18H,3-8H2,1H3/t10-,13-,14+/m1/s1
InChIKey: LYPPYMMHMYIYQI-HONMWMINSA-N
Reference
Biosynthesis of the 3-hydroxy-3-methylglutarate portion of the pyrrolizidine alkaloid dicrotaline
PubChem CID: 101981705
LOTUS: LTS0081165
SuperNatural Ⅲ: SN0218955-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria lachnosema | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 281.308
TPSA？: 76.07
MolLogP？: 0.0004999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|