11-ethyl-6,13-dimethyl-11-azahexacyclo[7.7.2.1?,?.0¹,¹?.0²,?.0¹³,¹?]nonadecane-4,7,16-triol
AlkaPlorer ID: AK254681
Synonym: None
IUPAC Name: (1R,2R,4R,5R,6S,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-6,13-dimethyl-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]12C[C@H]([C@H](C)[C@H]1O)[C@H](O)C[C@H]24
InChI: InChI=1S/C22H35NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12+,13-,14+,15+,16+,17-,18+,19+,20-,21-,22-/m0/s1
InChIKey: BNNSBUJXIHFJBX-SFTNKBJPSA-N
Reference
Chemical constituents of the aerial parts of Aconitum kongboense
PubChem CID: 162943613
LOTUS: LTS0034374
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kongboense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.52600000000007
TPSA？: 63.93000000000001
MolLogP？: 1.8717
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|