(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
| Internal ID | bc140de0-c465-4dba-9dd7-e113ea53675e |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one |
| SMILES (Canonical) | C1CC(N2C1C(C(C2CO)O)O)C(CCCCC(=O)CCCCO)O |
| SMILES (Isomeric) | C1CC2[C@H]([C@@H]([C@H](N2[C@@H]1[C@@H](CCCCC(=O)CCCCO)O)CO)O)O |
| InChI | InChI=1S/C18H33NO6/c20-10-4-3-6-12(22)5-1-2-7-16(23)13-8-9-14-17(24)18(25)15(11-21)19(13)14/h13-18,20-21,23-25H,1-11H2/t13-,14?,15+,16+,17+,18+/m0/s1 |
| InChI Key | WGEIJHUJKRVXNI-YQVSHGKTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H33NO6 |
| Molecular Weight | 359.50 g/mol |
| Exact Mass | 359.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/12dbb8e0-86dd-11ee-ba81-153322178ac6.jpg "2D Structure of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 91.14% | 94.66% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.04% | 99.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.98% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.95% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.25% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.44% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.88% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.73% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.06% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.83% | 91.11% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.62% | 98.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.21% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.82% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.62% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.02% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.00% | 98.05% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.08% | 92.12% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.05% | 93.56% |
| CHEMBL4683 | Q12884 | Fibroblast activation protein alpha | 81.01% | 93.07% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.48% | 91.24% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.36% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.20% | 94.33% |
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.
| Broussonetia kazinoki |
| PubChem | 101096882 |
| LOTUS | LTS0223417 |
| wikiData | Q105304442 |