5-Carboxytetrahydroalstonine; 10-β-D-Glucopyranosyloxy, parent acid
AlkaPlorer ID: AK291713
Synonym: Mappiodoside C
IUPAC Name: 16-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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(OC2OC(CO)C(O)C(O)C2O)=CC=C1N4
InChI: InChI=1S/C27H32N2O11/c1-10-15-7-29-18(5-12(15)16(9-38-10)25(34)35)21-14(6-19(29)26(36)37)13-4-11(2-3-17(13)28-21)39-27-24(33)23(32)22(31)20(8-30)40-27/h2-4,9-10,12,15,18-20,22-24,27-28,30-33H,5-8H2,1H3,(H,34,35)(H,36,37)
InChIKey: NDCYSCYTBZPIFQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mappianthus iodoides | Mappianthus | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 560.5560000000002
TPSA？: 202.24
MolLogP？: -0.277699999999998
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|