Spirasine II
AlkaPlorer ID: AK105752
Synonym: '9-Hydroxyspiradine D'
IUPAC Name: (1R,5R,6S,11R,12S,14S,17S,20S,21S)-21-hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
Structure
SMILES: C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@H]15
InChI: InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h13-14,16-18,25H,1,3-11H2,2H3/t13-,14+,16+,17+,18-,19+,20-,21+,22-/m0/s1
InChIKey: IBFHMUUZNIJLRN-ZPNNCZIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum javanicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.47800000000007
TPSA？: 49.77
MolLogP？: 2.5097000000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|