3-methoxy-2-methyl-5-(7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octyl)-1,4,5,6,7,8-hexahydroquinoline-4,8-dione
AlkaPlorer ID: AK598493
Synonym: None
IUPAC Name: 3-methoxy-2-methyl-5-[7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]-1,5,6,7-tetrahydroquinoline-4,8-dione
Structure
SMILES: COC1=C(C)NC2=C(C1=O)C(CCCCCCC(C)OC1OC(CO)C(O)C(O)C1O)CCC2=O
InChI: InChI=1S/C25H39NO9/c1-13(34-25-23(32)22(31)20(29)17(12-27)35-25)8-6-4-5-7-9-15-10-11-16(28)19-18(15)21(30)24(33-3)14(2)26-19/h13,15,17,20,22-23,25,27,29,31-32H,4-12H2,1-3H3,(H,26,30)
InChIKey: ZYDTZHBLMHSFMI-UHFFFAOYSA-N
Reference
Alkaloidal, Megastigmane and Lignan Glucosides fromAntidesma membranaceum (Euphorbiaceae)
PubChem CID: 163013743
LOTUS: LTS0120824
COCONUT: CNP0289201.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Antidesma membranaceum | Antidesma | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 497.5850000000002
TPSA？: 158.54000000000002
MolLogP？: 1.2976199999999989
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|