(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-4,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-6,8,9-triol
AlkaPlorer ID: AK194999
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-4,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-6,8,9-triol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(31-3)24-14-9-13-15(27)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1
InChIKey: AKYZMAZEPZKCAR-WIRSCEAYSA-N
Reference
Alkaloids of Delphinium biternatum
PubChem CID: 162990182
LOTUS: LTS0230618
SuperNatural Ⅲ: SN0008384-01
NPASS: NPC303793
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mucuna pruriens | Mucuna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phalaris arundinacea | Phalaris | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.6030000000002
TPSA？: 100.85
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 |
|---|