Ignavine
AlkaPlorer ID: AK081354
Synonym: ''
IUPAC Name: [(3R,4R,5R,11S,13R,16R,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=C1[C@H]2CC3C4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)C7=CC=CC=C7)CC47[C@@H]6[C@H]5CC3([C@@H]1O)[C@@]7(O)C2
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-HBFXMWHYSA-N
Reference
Über Hypaconitin, ein neues Aconitum‐Alkaloid. (V. Mitteilung über Aconitum‐Alkaloide)
PubChem CID: 3035320
LOTUS: LTS0035951
NPASS: NPC93530
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum carmichaelii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.54700000000025
TPSA？: 90.23
MolLogP？: 1.7436000000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|