11-ethyl-16-methoxy-13-methyl-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecane-4,6,8-triol
AlkaPlorer ID: AK400101
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5R,6R,8S,9S,10R,13R,16S,17R)-11-ethyl-16-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8-triol
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@H]23)[C@@H]14
InChI: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(27-3)22-12-7-11-14(24)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1
InChIKey: HKGMHDMSESOCGT-YISBXEQFSA-N
Reference
New norditerpenoid alkaloids from Aconitum septentrionale
PubChem CID: 102007325
LOTUS: LTS0229824
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum geniculatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.52500000000015
TPSA？: 73.16000000000001
MolLogP？: 1.2505999999999993
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|