Scaevodimerine A; 1',2'-Didehydro, 1-oxo
AlkaPlorer ID: AK313016
Synonym: Scaevodimerine D
IUPAC Name: (4-methoxycarbonyl-7-methyl-1-oxo-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-6-yl) 1-methyl-2,7-naphthyridine-4-carboxylate
Structure
SMILES: COC(=O)C1=CN=C(O)C2C1CC(OC(=O)C1=CN=C(C)C3=CN=CC=C13)C2C
InChI: InChI=1S/C21H21N3O5/c1-10-17(6-13-16(20(26)28-3)9-24-19(25)18(10)13)29-21(27)15-8-23-11(2)14-7-22-5-4-12(14)15/h4-5,7-10,13,17-18H,6H2,1-3H3,(H,24,25)
InChIKey: OQNGKOGIIJKTDE-UHFFFAOYSA-N
Reference
Four New Dimeric Monoterpene Alkaloids from Scaevola racemigera Däniker (Goodeniaceae)
PubChem CID: 13857106
LOTUS: LTS0124442
COCONUT: CNP0173635.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos pungens | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Scaevola | Goodeniaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.4150000000001
TPSA？: 110.97
MolLogP？: 2.7628200000000014
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|