Kirinine B
AlkaPlorer ID: AK196553
Synonym: ''
IUPAC Name: (1S,2R,4S,5R,8S,10R,12R,13R,14R,15S,16R,18R)-11-ethyl-5-methyl-17-methylidene-9-oxa-11-azaheptacyclo[14.2.2.01,14.02,12.04,13.05,10.08,13]icosane-15,18-diol
Structure
SMILES: C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H]([C@H]2O)[C@]12[C@@H]4CC[C@]5(C)[C@H]1C[C@H]3[C@H]2N(CC)[C@@H]5O4
InChI: InChI=1S/C22H31NO3/c1-4-23-17-12-9-13-20(3)7-6-14(26-19(20)23)22(13,17)16-15(24)11-5-8-21(12,16)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21+,22-/m1/s1
InChIKey: LGYIBDCNMQHCDV-VEZCHLSISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kirinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.4940000000001
TPSA？: 52.93000000000001
MolLogP？: 2.1558
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|