Validoxylamine G
| Internal ID | f0ee9282-080d-47dc-b98e-253476a7ec40 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Aminocyclitols and derivatives > Aminocyclitols |
| IUPAC Name | 1-(hydroxymethyl)-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,4-tetrol |
| SMILES (Canonical) | C1C(C(C(C(C1(CO)O)O)O)O)NC2C=C(C(C(C2O)O)O)CO |
| SMILES (Isomeric) | C1C(C(C(C(C1(CO)O)O)O)O)NC2C=C(C(C(C2O)O)O)CO |
| InChI | InChI=1S/C14H25NO9/c16-3-5-1-6(9(19)11(21)8(5)18)15-7-2-14(24,4-17)13(23)12(22)10(7)20/h1,6-13,15-24H,2-4H2 |
| InChI Key | RZSPTXNJXPJAAB-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C14H25NO9 |
| Molecular Weight | 351.35 g/mol |
| Exact Mass | 351.15293138 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -5.20 |
| 106054-18-6 |
| 1-(hydroxymethyl)-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol |
| 1-(hydroxymethyl)-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,4-tetrol |
| SCHEMBL5158027 |
| DTXSID20909884 |
| RZSPTXNJXPJAAB-UHFFFAOYSA-N |
| D-epi-Inositol, 3,4-dideoxy-2-C-(hydroxymethyl)-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))- |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.77% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.70% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.57% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.78% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.52% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.46% | 90.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.81% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.22% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.01% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.51% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.89% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.88% | 95.83% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.20% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 194720 |
| LOTUS | LTS0055796 |
| wikiData | Q82879567 |