Verazine; 22S,N-Dihydro, O-[4-(β-D-glucopyranosyloxy)-3,5-dimethylbenzoyl]
AlkaPlorer ID: AK317489
Synonym: Allumine B
IUPAC Name: [10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Structure
SMILES: CC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)=CC(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C5CCC(C)CN5)CCC43)C2)=C1
InChI: InChI=1S/C42H63NO8/c1-22-7-12-33(43-20-22)25(4)30-10-11-31-29-9-8-27-19-28(13-15-41(27,5)32(29)14-16-42(30,31)6)49-39(48)26-17-23(2)38(24(3)18-26)51-40-37(47)36(46)35(45)34(21-44)50-40/h8,17-18,22,25,28-37,40,43-47H,7,9-16,19-21H2,1-6H3
InChIKey: WYSGNNOQGXNWGU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium victorialis | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 709.965
TPSA？: 137.71
MolLogP？: 5.610740000000004
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|