Delphatine
AlkaPlorer ID: AK055396
Synonym: ''
IUPAC Name: (1R,2S,3S,4S,5S,6R,8S,9R,10R,13R,16S,17S,18S)-11-ethyl-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
Structure
SMILES: CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@@H]1[C@@](O)([C@@H](OC)[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC
InChI: InChI=1S/C26H43NO7/c1-7-27-12-23(13-30-2)9-8-17(32-4)25-15-10-14-16(31-3)11-24(28,18(15)19(14)33-5)26(29,22(25)27)21(34-6)20(23)25/h14-22,28-29H,7-13H2,1-6H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25+,26-/m0/s1
InChIKey: FYNCELMSVIDJLX-BOTGDMOFSA-N
Reference
Alkaloids of Delphinium biternatum
PubChem CID: 162942616
LOTUS: LTS0189474
SuperNatural Ⅲ: SN0098934-01
NPASS: NPC210628
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: 481.6300000000003
TPSA？: 89.85000000000002
MolLogP？: 0.9251000000000028
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|