Adirubine; 10-Hydroxy
AlkaPlorer ID: AK283343
Synonym: Mappiodine A
IUPAC Name: 3-ethyl-9-hydroxy-2-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-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(O)C=C34)C2CC1C(CO)C(=O)OC
InChI: InChI=1S/C22H28N2O6/c1-3-11-9-24-18(7-13(11)16(10-25)22(29)30-2)20-15(8-19(24)21(27)28)14-6-12(26)4-5-17(14)23-20/h4-6,11,13,16,18-19,23,25-26H,3,7-10H2,1-2H3,(H,27,28)
InChIKey: KDJXZMQKERUMAG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mappianthus iodoides | Mappianthus | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 416.4740000000002
TPSA？: 123.09000000000002
MolLogP？: 2.0535
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|