(1R,2R,12bR,13aS)-1-ethenyl-10,11-dihydroxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,7,8,12b,13,13a-octahydro-6-azatetraphen-5-one
AlkaPlorer ID: AK386363
Synonym: None
IUPAC Name: 12-ethenyl-2,3-dihydroxy-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,10,11,12,12a,13,13a-octahydroisoquinolino[2,1-b]isoquinolin-8-one
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)CC=C2C(=O)N3CCC4=CC(O)=C(O)C=C4C3CC21
InChI: InChI=1S/C25H31NO9/c1-2-12-15-8-16-14-9-18(29)17(28)7-11(14)5-6-26(16)24(33)13(15)3-4-19(12)34-25-23(32)22(31)21(30)20(10-27)35-25/h2-3,7,9,12,15-16,19-23,25,27-32H,1,4-6,8,10H2
InChIKey: GEAWMJGSGZLRQM-UHFFFAOYSA-N
Reference
Five Phenolic Glycosides from <i>Alangium </i><i>C</i><i>hinense</i>
PubChem CID: 162923706
LOTUS: LTS0204321
COCONUT: CNP0193323.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium chinense | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.5210000000004
TPSA？: 160.15
MolLogP？: -0.1391000000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|