Merresectine D; Demethoxy, O-β-D-glucopyranoside
AlkaPlorer ID: AK305596
Synonym: Merresectine E glucoside
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Structure
SMILES: CC(C)=CCC1=CC(C(=O)OC2CC3CCC(C2)N3C)=CC=C1OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C26H37NO8/c1-14(2)4-5-15-10-16(25(32)33-19-11-17-7-8-18(12-19)27(17)3)6-9-20(15)34-26-24(31)23(30)22(29)21(13-28)35-26/h4,6,9-10,17-19,21-24,26,28-31H,5,7-8,11-13H2,1-3H3
InChIKey: OHCQINPQLKQWBV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merremia | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.5810000000001
TPSA？: 128.92000000000002
MolLogP？: 1.1559999999999997
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|