(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: AK213609
Synonym: None
IUPAC Name: (11R,12R,12aS,13aR)-12-ethenyl-2,3-dihydroxy-11-[(2R,3R,4S,5S,6R)-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=C[C@@H]1[C@@H]2C[C@@H]3C4=CC(O)=C(O)C=C4CCN3C(=O)C2=CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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/t12-,15+,16-,19-,20-,21-,22+,23-,25-/m1/s1
InChIKey: GEAWMJGSGZLRQM-IADDMXJJSA-N
Reference
Five Phenolic Glycosides from <i>Alangium </i><i>C</i><i>hinense</i>
PubChem CID: 162923707
LOTUS: LTS0275950
SuperNatural Ⅲ: SN0103224-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium chinense | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.5210000000002
TPSA？: 160.15
MolLogP？: -0.1391000000000009
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|