riboflavin(1-)
AlkaPlorer ID: AK001879
Synonym: '', '6,7-dimethyl-9-D-ribitylisoalloxazine', '7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzogpteridine-2,4(3H,10H)-dione', 'Vitamin B2', '7,8-Dimethyl-10-ribitylisoalloxazine', '7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine', '83-88-5', 'MLS001066391', 'Riboflavin', 'vitamin G', 'E101', 'Lactoflavin', 'SMR000112236', 'vitamin B2', 'RIBOFLAVINE', '1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzogpteridin-10(2H)-yl)pentitol', 'MLSMR', '7,8-dimethyl-2,4-dioxo-10-(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl-2H,3H,4H,10H-benzogpteridin-3-ide', '()-Riboflavin', 'riboflavin'
IUPAC Name: 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Structure
SMILES: CC1=CC2=C(C=C1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1=N2
InChI: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m1/s1
InChIKey: AUNGANRZJHBGPY-MBNYWOFBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia julibrissin | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 376.36900000000014
TPSA？: 161.56
MolLogP？: -1.7235599999999995
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Equus caballus | Ferritin light chain | Potency | 11220.2 | nM | None |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 7924.5 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 11220.2 | nM | None |
| Homo sapiens | Breast cancer type 1 susceptibility protein | Potency | 3981.1 | nM | None |
| Homo sapiens | Caspase-1 | Potency | 10000.0 | nM | None |
| Homo sapiens | Caspase-7 | Potency | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 7943.28 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | 6309.57 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 6309.6 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 31622.8 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -16.39 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -0.19 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 6309.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 7079.5 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 6309.6 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 | Potency | 10000.0 | nM | None |
| None | No relevant target | LogP | -1.46 | None | 10.1016/j.ejmech.2007.05.007 |
| None | Unchecked | Potency | 10000.0 | nM | None |