5-Carboxytetrahydroalstonine; 10-Hydroxy, parent acid
AlkaPlorer ID: AK291714
Synonym: Mappiodine C
IUPAC Name: 7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-12,19-dicarboxylic acid
Structure
SMILES: CC1OC=C(C(=O)O)C2CC3C4=C(CC(C(=O)O)N3CC12)C1=CC(O)=CC=C1N4
InChI: InChI=1S/C21H22N2O6/c1-9-14-7-23-17(5-11(14)15(8-29-9)20(25)26)19-13(6-18(23)21(27)28)12-4-10(24)2-3-16(12)22-19/h2-4,8-9,11,14,17-18,22,24H,5-7H2,1H3,(H,25,26)(H,27,28)
InChIKey: XCHQOAXKIOZNDD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mappianthus iodoides | Mappianthus | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4150000000001
TPSA？: 123.09
MolLogP？: 2.2492
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|