N-deethyl-N-19-didehydrosachaconitine
AlkaPlorer ID: AK083259
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-4,8-diol
Structure
SMILES: CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](O)[C@@H]1C[C@H]3[C@@]13[C@@H](OC)CC[C@@]4(C)C=N[C@@H]1[C@@H]2C[C@@H]34
InChI: InChI=1S/C21H31NO4/c1-19-5-4-15(26-3)21-11-6-10-13(25-2)8-20(24,16(11)17(10)23)12(7-14(19)21)18(21)22-9-19/h9-18,23-24H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-,17+,18-,19+,20+,21-/m1/s1
InChIKey: XJSOPBATEOQJSE-AKTDKUJDSA-N
Reference
Macrorhynines A and B, Two Novel Norditerpenoid Alkaloids from <i>Aconitum macrorhynchum</i>
PubChem CID: 102511303
LOTUS: LTS0062945
SuperNatural Ⅲ: SN0432061-02
NPASS: NPC295808
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erica australis | Erica | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pinus mugo | Pinus | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.4820000000001
TPSA？: 71.28
MolLogP？: 1.6535999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|