1,2,3a,4-Tetrahydrofuro[2,3-b]indol-8b-ol
| Internal ID | 8487f94d-3c91-43a2-80fd-eea0d6718922 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolines |
| IUPAC Name | 1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H11NO2/c12-10-5-6-13-9(10)11-8-4-2-1-3-7(8)10/h1-4,9,11-12H,5-6H2 |
| InChI Key | ARMDWESWZUMWSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.20 g/mol |
| Exact Mass | 177.078978594 g/mol |
| Topological Polar Surface Area (TPSA) | 41.50 Ų |
| XlogP | 0.80 |
| Atomic LogP (AlogP) | 1.05 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 0 |
| There are no found synonyms. |
![2D Structure of 1,2,3a,4-Tetrahydrofuro[2,3-b]indol-8b-ol](https://plantaedb.com/storage/docs/compounds/2023/11/123a4-tetrahydrofuro23-bindol-8b-ol.jpg "2D Structure of 1,2,3a,4-Tetrahydrofuro[2,3-b]indol-8b-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9609 | 96.09% |
| Caco-2 | + | 0.8648 | 86.48% |
| Blood Brain Barrier | + | 0.8129 | 81.29% |
| Human oral bioavailability | + | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.5682 | 56.82% |
| OATP2B1 inhibitior | - | 0.8652 | 86.52% |
| OATP1B1 inhibitior | + | 0.9399 | 93.99% |
| OATP1B3 inhibitior | + | 0.9469 | 94.69% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9585 | 95.85% |
| P-glycoprotein inhibitior | - | 0.9866 | 98.66% |
| P-glycoprotein substrate | - | 0.8812 | 88.12% |
| CYP3A4 substrate | - | 0.5115 | 51.15% |
| CYP2C9 substrate | - | 0.6027 | 60.27% |
| CYP2D6 substrate | - | 0.6595 | 65.95% |
| CYP3A4 inhibition | - | 0.9916 | 99.16% |
| CYP2C9 inhibition | - | 0.8655 | 86.55% |
| CYP2C19 inhibition | - | 0.7987 | 79.87% |
| CYP2D6 inhibition | - | 0.9104 | 91.04% |
| CYP1A2 inhibition | - | 0.8097 | 80.97% |
| CYP2C8 inhibition | - | 0.8803 | 88.03% |
| CYP inhibitory promiscuity | - | 0.9057 | 90.57% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.8800 | 88.00% |
| Carcinogenicity (trinary) | Non-required | 0.5841 | 58.41% |
| Eye corrosion | - | 0.9872 | 98.72% |
| Eye irritation | + | 0.7625 | 76.25% |
| Skin irritation | - | 0.7814 | 78.14% |
| Skin corrosion | - | 0.9262 | 92.62% |
| Ames mutagenesis | - | 0.5300 | 53.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7907 | 79.07% |
| Micronuclear | + | 0.7100 | 71.00% |
| Hepatotoxicity | + | 0.6274 | 62.74% |
| skin sensitisation | - | 0.8023 | 80.23% |
| Respiratory toxicity | + | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.8222 | 82.22% |
| Mitochondrial toxicity | + | 0.7125 | 71.25% |
| Nephrotoxicity | - | 0.6370 | 63.70% |
| Acute Oral Toxicity (c) | III | 0.6376 | 63.76% |
| Estrogen receptor binding | - | 0.7368 | 73.68% |
| Androgen receptor binding | - | 0.5110 | 51.10% |
| Thyroid receptor binding | - | 0.6529 | 65.29% |
| Glucocorticoid receptor binding | - | 0.9503 | 95.03% |
| Aromatase binding | - | 0.8873 | 88.73% |
| PPAR gamma | + | 0.5800 | 58.00% |
| Honey bee toxicity | - | 0.9291 | 92.91% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.5800 | 58.00% |
| Fish aquatic toxicity | - | 0.9717 | 97.17% |
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 | 97.76% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.52% | 89.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.57% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.97% | 94.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.69% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.67% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.64% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.57% | 94.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.32% | 85.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
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| PubChem | 10192601 |
| LOTUS | LTS0174685 |
| wikiData | Q104085667 |