Alalakine
AlkaPlorer ID: AK283658
Synonym: None
IUPAC Name: 6-ethyl-10,11-dimethoxy-8,19-dioxa-5,17-diazaheptacyclo[15.4.3.15,9.01,18.04,14.014,18.013,25]pentacosa-9(25),10,12-trien-20-one
Structure
SMILES: CCC1COC2=C(OC)C(OC)=CC3=C2N1C1CCC24CCCN5CCC31C52OC(=O)C4
InChI: InChI=1S/C25H32N2O5/c1-4-15-14-31-22-20-16(12-17(29-2)21(22)30-3)24-9-11-26-10-5-7-23(8-6-18(24)27(15)20)13-19(28)32-25(23,24)26/h12,15,18H,4-11,13-14H2,1-3H3
InChIKey: HQYQBSZRFWKMBJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma album | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 440.5400000000004
TPSA？: 60.470000000000006
MolLogP？: 3.2241000000000017
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|