Hanamisine
AlkaPlorer ID: AK171620
Synonym: ''
IUPAC Name: [(1S,2S,3S,5R,8R,9S,11R,13R,14S,16S,17R,18R)-2-acetyloxy-13-hydroxy-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]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)C7=CC=CC=C7)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@H]7C2
InChI: InChI=1S/C29H33NO5/c1-14-17-9-18-23-29-21(10-17)28(18,24(14)32)11-19-22(29)27(3,13-30(19)23)12-20(25(29)34-15(2)31)35-26(33)16-7-5-4-6-8-16/h4-8,17-25,32H,1,9-13H2,2-3H3/t17-,18+,19-,20-,21+,22+,23+,24+,25+,27-,28+,29-/m0/s1
InChIKey: GHPZLWCPFKQCPQ-ASTJTPLJSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 162871263
LOTUS: LTS0218109
SuperNatural Ⅲ: SN0105992-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 475.58500000000026
TPSA？: 76.07
MolLogP？: 3.1995000000000022
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|