1-(Furan-3-yl)-6-(hydroxymethyl)-3,3-dimethylcyclopenta[c]pyran-7-one
Internal ID | 9f1b064e-abca-4929-b4de-8414ae0fe5c4 |
Taxonomy | Organoheterocyclic compounds > Pyrans |
IUPAC Name | 1-(furan-3-yl)-6-(hydroxymethyl)-3,3-dimethylcyclopenta[c]pyran-7-one |
SMILES (Canonical) | CC1(C=C2C=C(C(=O)C2=C(O1)C3=COC=C3)CO)C |
SMILES (Isomeric) | CC1(C=C2C=C(C(=O)C2=C(O1)C3=COC=C3)CO)C |
InChI | InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3 |
InChI Key | JALVJVQQNNSJDS-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C15H14O4 |
Molecular Weight | 258.27 g/mol |
Exact Mass | 258.08920892 g/mol |
Topological Polar Surface Area (TPSA) | 59.70 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of 1-(Furan-3-yl)-6-(hydroxymethyl)-3,3-dimethylcyclopenta[c]pyran-7-one 2D Structure of 1-(Furan-3-yl)-6-(hydroxymethyl)-3,3-dimethylcyclopenta[c]pyran-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-furan-3-yl-6-hydroxymethyl-33-dimethylcyclopentacpyran-7-one.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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.78% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.17% | 94.73% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.51% | 90.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.26% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.86% | 96.09% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.95% | 81.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.19% | 97.50% |
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.
Distimake kentrocaulos |
PubChem | 10934151 |
LOTUS | LTS0147764 |
wikiData | Q105123833 |