11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecane-2,4,8,16-tetrol
AlkaPlorer ID: AK123919
Synonym: None
IUPAC Name: (2S,5S,6S,8S,9R,13R,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
Structure
SMILES: CCN1C[C@]2(C)CCC(O)C34C1[C@@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)C1C2O
InChI: InChI=1S/C22H35NO5/c1-4-23-10-19(2)6-5-15(24)22-14(19)7-12(18(22)23)20(26)9-13(28-3)11-8-21(22,27)17(20)16(11)25/h11-18,24-27H,4-10H2,1-3H3/t11-,12-,13+,14-,15?,16?,17?,18?,19+,20+,21+,22?/m1/s1
InChIKey: PFSQFYVYGQKXRF-NVIQIUFPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum karakolicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Euphorbia kansui | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.5240000000001
TPSA？: 93.39
MolLogP？: 0.3655
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|