Tangutisine
AlkaPlorer ID: AK024697
Synonym: 'Guanfu alcoholamine'
IUPAC Name: (1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,9,10,19-tetrol
Structure
SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](O)C[C@@]57[C@@H]2[C@@H](O)[C@@H]1[C@H](O)[C@]3(O)[C@H]7N4C6
InChI: InChI=1S/C20H27NO4/c1-8-3-18-6-10-13-17(2)4-9(22)5-19(13)14(18)12(23)11(8)15(24)20(18,25)16(19)21(10)7-17/h9-16,22-25H,1,3-7H2,2H3/t9-,10-,11+,12-,13+,14+,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey: CUDAPDZQDGJUOS-PJYGEUAISA-N
Reference
Tangutisine, a New Diterpenoid Alkaloid from Aconitum tanguticum (Maxim.) Stapf, W. T. Wang
PubChem CID: 162956976
LOTUS: LTS0061886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.4390000000001
TPSA？: 84.16
MolLogP？: -0.1211000000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|