Heteratisine
AlkaPlorer ID: AK044458
Synonym: '', 'Heteratisine'
IUPAC Name: (1S,2R,3S,6R,9S,10R,11R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6CC[C@](O)([C@@H]([C@@H](O)[C@H]23)[C@@H]14)[C@H]5C(=O)O6
InChI: InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12-,13+,14-,15+,16-,17-,18-,20+,21-,22+/m1/s1
InChIKey: YPSAOPXJHSESSR-ZWNDPACGSA-N
Reference
The alkaloids of aconitum heterophyllum wall.: Isolation and characterization
PubChem CID: 163047146
LOTUS: LTS0021359
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum heterophyllum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.508
TPSA？: 79.23
MolLogP？: 1.1852999999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|