Ajadine
AlkaPlorer ID: AK000311
Synonym: None
IUPAC Name: [(1S,5R,6S,8R,13S,16R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@@]2(CC[C@H]([C@@]34C2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6CC4C5C6OC(=O)C)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C
InChI: InChI=1S/C35H48N2O10/c1-7-37-16-32(17-46-30(40)20-10-8-9-11-23(20)36-18(2)38)13-12-25(44-5)34-22-14-21-24(43-4)15-33(41,26(22)27(21)47-19(3)39)35(42,31(34)37)29(45-6)28(32)34/h8-11,21-22,24-29,31,41-42H,7,12-17H2,1-6H3,(H,36,38)/t21-,22?,24+,25-,26?,27?,28?,29+,31?,32+,33-,34+,35?/m1/s1
InChIKey: QFEWDYKEKVVRHZ-PFDZJBSASA-N
Reference
New Norditerpenoid Alkaloids from the Leaves of Delphinium ajacis
PubChem CID: 3085140
CAS: 58480-81-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium flexuosum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Consolida ambigua | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Consolida ajacis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 656.7730000000003
TPSA？: 153.09
MolLogP？: 2.0108000000000006
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|