Merresectine C; O-β-D-Glucopyranoside
AlkaPlorer ID: AK305593
Synonym: Merresectine B
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-bis(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Structure
SMILES: CC(C)=CCC1=C(OC2OC(CO)C(O)C(O)C2O)C(CC=C(C)C)=CC(C(=O)OC2CC3CCC(C2)N3C)=C1
InChI: InChI=1S/C31H45NO8/c1-17(2)6-8-19-12-21(30(37)38-24-14-22-10-11-23(15-24)32(22)5)13-20(9-7-18(3)4)29(19)40-31-28(36)27(35)26(34)25(16-33)39-31/h6-7,12-13,22-28,31,33-36H,8-11,14-16H2,1-5H3
InChIKey: PTOHHQZBABICAF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merremia | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 559.7000000000003
TPSA？: 128.92000000000002
MolLogP？: 2.6647000000000007
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|