Brunonine
AlkaPlorer ID: AK055150
Synonym: '(+)-Brunonine', '15-Epibrunonine', 'Spiramine N'
IUPAC Name: (1R,2S,4S,6R,7R,8R,10S,11R,12R)-12-ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol
Structure
SMILES: C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(C)CCC[C@@]4(C=N[C@@H]5OCC)[C@@H]3C2)[C@@H]1O
InChI: InChI=1S/C22H33NO3/c1-4-26-19-20(3)7-5-8-21(12-23-19)15(20)11-17(24)22-9-6-14(10-16(21)22)13(2)18(22)25/h12,14-19,24-25H,2,4-11H2,1,3H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+/m0/s1
InChIKey: XOHJLHIMWCCTNI-HUWJZBPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium brunonianum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.5100000000001
TPSA？: 62.05000000000001
MolLogP？: 3.3242000000000025
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|