[(1R,2R,5S)-2-[(1S)-4-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-oxocyclopent-3-en-1-yl]-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methyl acetate
Internal ID | ccf977e7-76dd-4c1c-a50e-ffb3d8cf2b77 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
IUPAC Name | [(1R,2R,5S)-2-[(1S)-4-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-oxocyclopent-3-en-1-yl]-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1(CCC2C1(O2)C)C3CC(=CC3=O)C(C)(COC(=O)C)O |
SMILES (Isomeric) | CC(=O)OC[C@@]1(CC[C@H]2[C@@]1(O2)C)[C@@H]3CC(=CC3=O)[C@](C)(COC(=O)C)O |
InChI | InChI=1S/C19H26O7/c1-11(20)24-9-17(3,23)13-7-14(15(22)8-13)19(10-25-12(2)21)6-5-16-18(19,4)26-16/h8,14,16,23H,5-7,9-10H2,1-4H3/t14-,16+,17+,18+,19+/m1/s1 |
InChI Key | LTORKLXEGAHTJM-RFZNHBKKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H26O7 |
Molecular Weight | 366.40 g/mol |
Exact Mass | 366.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of [(1R,2R,5S)-2-[(1S)-4-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-oxocyclopent-3-en-1-yl]-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methyl acetate 2D Structure of [(1R,2R,5S)-2-[(1S)-4-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-oxocyclopent-3-en-1-yl]-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/042a11e0-8598-11ee-90a7-ddc94ae1f54a.jpg)
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 | 99.07% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.43% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.01% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.97% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.94% | 86.33% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.26% | 93.04% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.59% | 95.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.87% | 100.00% |
CHEMBL5028 | O14672 | ADAM10 | 82.94% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.89% | 95.89% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.68% | 97.28% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.12% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.70% | 92.62% |
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.
Siparuna pauciflora |
PubChem | 162975745 |
LOTUS | LTS0062102 |
wikiData | Q105157072 |