Spiradine A
AlkaPlorer ID: AK039358
Synonym: '', 'Spiradine A'
IUPAC Name: (1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Structure
SMILES: C=C1C[C@]23C[C@]4(O)[C@@H]5[C@@]6(C)CCC[C@]57C(C2C[C@H]1C(=O)[C@H]37)N4C6
InChI: InChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11-,12?,14-,15?,16-,17+,18+,19+,20+/m1/s1
InChIKey: YWJLOJZDBLDKSA-MLJITFGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.425
TPSA？: 40.54
MolLogP？: 2.3506
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|