Methyl 1,2-didehydro-6,7-epoxy-3-hydroxy-8-oxoaspidospermidine-3-carboxylate
AlkaPlorer ID: AK305786
Synonym: 16-Carbomethoxy-16-hydroxy-14,15-epoxy-3-oxo-1,2-dehydroaspidospermidine
IUPAC Name: methyl 12-ethyl-10-hydroxy-16-oxo-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,8-tetraene-10-carboxylate
Structure
SMILES: CCC12CC(O)(C(=O)OC)C3=NC4=CC=CC=C4C34CCN(C(=O)C3OC31)C42
InChI: InChI=1S/C21H22N2O5/c1-3-19-10-21(26,18(25)27-2)16-20(11-6-4-5-7-12(11)22-16)8-9-23(17(19)20)15(24)13-14(19)28-13/h4-7,13-14,17,26H,3,8-10H2,1-2H3
InChIKey: FHGYMCIKYXFYNW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amsonia elliptica | Amsonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.41600000000017
TPSA？: 91.73
MolLogP？: 1.0965999999999996
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|