Spiraeaine A
AlkaPlorer ID: AK012616
Synonym: '(-)-Spiraeaine A'
IUPAC Name: (1R,5R,8R,10S,11R,14S,16R,17R,18S)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-18-ol
Structure
SMILES: C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)CN(CCO)[C@@H]1O[C@@H]3[C@@H](O)[C@H]42
InChI: InChI=1S/C22H33NO3/c1-13-11-21-7-4-14(13)10-15(21)22-6-3-5-20(2)12-23(8-9-24)19(22)26-18(21)16(25)17(20)22/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19+,20-,21+,22+/m0/s1
InChIKey: OVBJGKKAXGRFJR-PYZZLWOGSA-N
Reference
New Diterpenoid Alkaloid from Spiraea formosana
PubChem CID: 162974189
LOTUS: LTS0011028
SuperNatural Ⅲ: SN0276010-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea formosana | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51
TPSA？: 52.93000000000001
MolLogP？: 2.5491
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|