2,5-Dihydrofuran
| Internal ID | d09eacaa-46f7-4dbc-9663-e0a6349d4b48 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans |
| IUPAC Name | 2,5-dihydrofuran |
| SMILES (Canonical) | C1C=CCO1 |
| SMILES (Isomeric) | C1C=CCO1 |
| InChI | InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2 |
| InChI Key | ARGCQEVBJHPOGB-UHFFFAOYSA-N |
| Popularity | 339 references in papers |
| Molecular Formula | C4H6O |
| Molecular Weight | 70.09 g/mol |
| Exact Mass | 70.041864811 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 0.50 |
| Atomic LogP (AlogP) | 0.57 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 0 |
| 1708-29-8 |
| Furan, 2,5-dihydro- |
| 3-Oxolene |
| 1-Oxa-3-cyclopentene |
| 2,5-Dihydro-furan |
| EINECS 216-957-4 |
| MFCD00003219 |
| NSC 60532 |
| HD0TIE091T |
| NSC-60532 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9910 | 99.10% |
| Caco-2 | + | 0.8111 | 81.11% |
| Blood Brain Barrier | + | 0.9500 | 95.00% |
| Human oral bioavailability | + | 0.8714 | 87.14% |
| Subcellular localzation | Lysosomes | 0.4763 | 47.63% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9734 | 97.34% |
| OATP1B3 inhibitior | + | 0.9578 | 95.78% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | - | 0.9170 | 91.70% |
| P-glycoprotein inhibitior | - | 0.9874 | 98.74% |
| P-glycoprotein substrate | - | 0.9953 | 99.53% |
| CYP3A4 substrate | - | 0.8073 | 80.73% |
| CYP2C9 substrate | + | 0.5969 | 59.69% |
| CYP2D6 substrate | - | 0.7661 | 76.61% |
| CYP3A4 inhibition | - | 0.9862 | 98.62% |
| CYP2C9 inhibition | - | 0.8461 | 84.61% |
| CYP2C19 inhibition | - | 0.7086 | 70.86% |
| CYP2D6 inhibition | - | 0.9165 | 91.65% |
| CYP1A2 inhibition | - | 0.6186 | 61.86% |
| CYP2C8 inhibition | - | 0.9900 | 99.00% |
| CYP inhibitory promiscuity | - | 0.6452 | 64.52% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6944 | 69.44% |
| Carcinogenicity (trinary) | Warning | 0.4302 | 43.02% |
| Eye corrosion | + | 0.9650 | 96.50% |
| Eye irritation | + | 0.9951 | 99.51% |
| Skin irritation | + | 0.8487 | 84.87% |
| Skin corrosion | + | 0.6473 | 64.73% |
| Ames mutagenesis | - | 0.8800 | 88.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7624 | 76.24% |
| Micronuclear | - | 0.8000 | 80.00% |
| Hepatotoxicity | + | 0.9250 | 92.50% |
| skin sensitisation | - | 0.6129 | 61.29% |
| Respiratory toxicity | - | 0.8000 | 80.00% |
| Reproductive toxicity | - | 0.6667 | 66.67% |
| Mitochondrial toxicity | - | 0.8500 | 85.00% |
| Nephrotoxicity | + | 0.6200 | 62.00% |
| Acute Oral Toxicity (c) | III | 0.4854 | 48.54% |
| Estrogen receptor binding | - | 0.9453 | 94.53% |
| Androgen receptor binding | - | 0.9524 | 95.24% |
| Thyroid receptor binding | - | 0.9166 | 91.66% |
| Glucocorticoid receptor binding | - | 0.8445 | 84.45% |
| Aromatase binding | - | 0.8944 | 89.44% |
| PPAR gamma | - | 0.8692 | 86.92% |
| Honey bee toxicity | - | 0.8798 | 87.98% |
| Biodegradation | + | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | - | 0.5700 | 57.00% |
| Fish aquatic toxicity | - | 0.4900 | 49.00% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.74% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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