deltaline
AlkaPlorer ID: AK017853
Synonym: 'Deltamine 6-acetate', '', 'Eldeline', 'Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-', 'Deltaline', 'Delphelatine'
IUPAC Name: [(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19R,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate
Structure
SMILES: CCN1C[C@]2(C)CC[C@@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14
InChI: InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey: DTTPWCNKTMQMTE-AOXYNMQJSA-N
Reference
Diterpenoid Alkaloids from <i>Delphinium yunnanense</i>
PubChem CID: 163073301
LOTUS: LTS0270649
SuperNatural Ⅲ: SN0075225-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium yunnanense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 507.6240000000004
TPSA？: 95.92000000000002
MolLogP？: 1.3499000000000023
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|