(2R,3R,4R,5R)-2-[(3R,6S)-3,6-dihydroxyheptyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
| Internal ID | f6e6a08b-1192-425a-827a-5d6a0df09f2a |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | (2R,3R,4R,5R)-2-[(3R,6S)-3,6-dihydroxyheptyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| SMILES (Canonical) | CC(CCC(CCC1C(C(C(N1)CO)O)O)O)O |
| SMILES (Isomeric) | C[C@@H](CC[C@@H](CC[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O)O |
| InChI | InChI=1S/C12H25NO5/c1-7(15)2-3-8(16)4-5-9-11(17)12(18)10(6-14)13-9/h7-18H,2-6H2,1H3/t7-,8-,9+,10+,11+,12+/m0/s1 |
| InChI Key | OBZHTHFFRXHHGC-WGWHJZDNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H25NO5 |
| Molecular Weight | 263.33 g/mol |
| Exact Mass | 263.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5R)-2-[(3R,6S)-3,6-dihydroxyheptyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4r5r-2-3r6s-36-dihydroxyheptyl-5-hydroxymethylpyrrolidine-34-diol.jpg "2D Structure of (2R,3R,4R,5R)-2-[(3R,6S)-3,6-dihydroxyheptyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.02% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.60% | 83.82% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.59% | 97.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.12% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.41% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.07% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.07% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.99% | 96.61% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 87.51% | 94.55% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.69% | 98.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.75% | 85.14% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.16% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.03% | 92.88% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.95% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.70% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.79% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.61% | 90.08% |
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.
| Hyacinthoides hispanica |
| PubChem | 163042689 |
| LOTUS | LTS0200921 |
| wikiData | Q105189230 |