Deacetylhanamisine
AlkaPlorer ID: AK203938
Synonym: '1-O-Deacetylhanamisine', 'Hanamiyama base'
IUPAC Name: [(1S,2S,3S,5R,8R,9S,11R,13R,14S,16S,17R,18R)-2,13-dihydroxy-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](O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@H]7C2
InChI: InChI=1S/C27H31NO4/c1-13-15-8-16-21-27-19(9-15)26(16,22(13)29)10-17-20(27)25(2,12-28(17)21)11-18(23(27)30)32-24(31)14-6-4-3-5-7-14/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,25-,26+,27-/m0/s1
InChIKey: FTUPRBAQRNZGMW-SEJZRNAXSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 163049785
LOTUS: LTS0175530
SuperNatural Ⅲ: SN0095371-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.5480000000002
TPSA？: 70.0
MolLogP？: 2.628700000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|