Adirubine; 10-β-D-Glucopyranosyloxy
AlkaPlorer ID: AK283342
Synonym: Mappiodoside A
IUPAC Name: 3-ethyl-2-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylic acid
Structure
SMILES: CCC1CN2C(C(=O)O)CC3=C(NC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C34)C2CC1C(CO)C(=O)OC
InChI: InChI=1S/C28H38N2O11/c1-3-12-9-30-19(7-14(12)17(10-31)27(38)39-2)22-16(8-20(30)26(36)37)15-6-13(4-5-18(15)29-22)40-28-25(35)24(34)23(33)21(11-32)41-28/h4-6,12,14,17,19-21,23-25,28-29,31-35H,3,7-11H2,1-2H3,(H,36,37)
InChIKey: DBNLWFJGEHSRPX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mappianthus iodoides | Mappianthus | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 578.6150000000002
TPSA？: 202.24
MolLogP？: -0.473399999999998
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|