Delsemine A
AlkaPlorer ID: AK001275
Synonym: None
IUPAC Name: [(4S,5R,8R,10S,16R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-2-methyl-4-oxobutanoyl)amino]benzoate
Structure
SMILES: CCN1CC2(CC[C@H](C34[C@H]1C([C@H](C23)OC)([C@]5(CC([C@H]6CC4C5[C@H]6OC)OC)O)O)OC)COC(=O)C7=CC=CC=C7NC(=O)C(C)CC(=O)N
InChI: InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25-,27?,28+,29?,30+,33+,34?,35-,36?,37?/m1/s1
InChIKey: NXAZXMKMGPWXII-IGHBFZKASA-N
Reference
Delphatisine D and Chrysotrichumine A, two new diterpenoid alkaloids from Delphinium chrysotrichum
PubChem CID: 45598211
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium yunnanense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Delphinium chrysotrichum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 699.8420000000001
TPSA？: 179.11
MolLogP？: 1.5857000000000034
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|