Spiredine
AlkaPlorer ID: AK046859
Synonym: '', 'Spiredine'
IUPAC Name: (1S,5R,6S,11R,12S,14R,17S,20S,21R)-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosane-19,22-dione
Structure
SMILES: C=C1C[C@@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@@]46[C@@H]2C(=O)[C@@H]1C[C@@H]3[C@H]6N1CCO[C@H]15
InChI: InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13-,16-,17-,18-,19+,20-,21+,22+/m1/s1
InChIKey: SMCYLHSXVDDYCA-ICSRZWDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum javanicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.46200000000005
TPSA？: 46.61
MolLogP？: 2.573800000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|