Ignavine
AlkaPlorer ID: AK006592
Synonym: None
IUPAC Name: [(1R,3R,4R,5R,8R,9S,11S,13R,14S,16S,17R,18R)-4,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
Structure
SMILES: C[C@]12CN3[C@@H]4[C@H]1[C@@]5([C@H]3[C@H]6C[C@H]7C[C@@]5([C@]6(C4)[C@@H](C7=C)O)O)C[C@H]([C@@H]2O)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18+,19+,20+,21+,22-,24-,25-,26+,27-/m0/s1
InChIKey: FOIZZXKAYVIZQC-GRPOQJKGSA-N
Reference
PubChem CID: 163068108
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum carmichaelii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5470000000001
TPSA？: 90.23000000000002
MolLogP？: 1.7435999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|