(1S,2R,3R,4S,5S,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,9,16-triol
AlkaPlorer ID: AK318887
Synonym: None
IUPAC Name: 11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
Structure
SMILES: CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14
InChI: InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3
InChIKey: ZUMVRGDGUZROMJ-UHFFFAOYSA-N
Reference
Norditerpenoid alkaloids from Delphinium species
PubChem CID: 185185
CAS: 92631-66-8
LOTUS: LTS0194045
NPASS: NPC187486
COCONUT: CNP0288721.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium tatsienense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.6030000000002
TPSA？: 100.85000000000002
MolLogP？: 0.2710000000000029
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|