15-Acetylsongoramine
AlkaPlorer ID: AK166407
Synonym: ''
IUPAC Name: [(1S,5S,8R,9S,10R,11R,13R,14S,16S,17R,18S,19R)-13-acetyloxy-10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate
Structure
SMILES: C=C1[C@@H]2[C@H](O)[C@@H]3[C@H]4N5C[C@@]6(C)CC(=O)C[C@]47[C@H]([C@H]2OC(=O)C2=CC=CC=C2)[C@]3(C[C@H]5[C@H]67)[C@@H]1OC(C)=O
InChI: InChI=1S/C29H31NO6/c1-13-18-20(33)19-24-29-10-16(32)9-27(3)12-30(24)17(22(27)29)11-28(19,25(13)35-14(2)31)23(29)21(18)36-26(34)15-7-5-4-6-8-15/h4-8,17-25,33H,1,9-12H2,2-3H3/t17-,18+,19+,20-,21-,22+,23+,24+,25+,27+,28+,29-/m0/s1
InChIKey: XUKQBWKRCZANJN-AJSFVFHUSA-N
Reference
Dynamics of the accumulation of alkaloids in the epigeal part ofAconitum leucostomum
PubChem CID: 163106633
LOTUS: LTS0026424
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum soongaricum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.56800000000027
TPSA？: 93.14
MolLogP？: 2.3785000000000007
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|