Streptoprenylindole C
| Internal ID | 56d25c02-4c23-41c4-889c-299dfcaf4de0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (2S)-1-[3-(2-hydroxyethyl)-1H-indol-6-yl]-3-methylbutane-2,3-diol |
| SMILES (Canonical) | CC(C)(C(CC1=CC2=C(C=C1)C(=CN2)CCO)O)O |
| SMILES (Isomeric) | CC(C)([C@H](CC1=CC2=C(C=C1)C(=CN2)CCO)O)O |
| InChI | InChI=1S/C15H21NO3/c1-15(2,19)14(18)8-10-3-4-12-11(5-6-17)9-16-13(12)7-10/h3-4,7,9,14,16-19H,5-6,8H2,1-2H3/t14-/m0/s1 |
| InChI Key | RJNCATAHKZHALW-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.33 g/mol |
| Exact Mass | 263.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 76.50 Ų |
| XlogP | 1.20 |
| Atomic LogP (AlogP) | 1.38 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 5 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9934 | 99.34% |
| Caco-2 | - | 0.5395 | 53.95% |
| Blood Brain Barrier | + | 0.6250 | 62.50% |
| Human oral bioavailability | - | 0.5714 | 57.14% |
| Subcellular localzation | Mitochondria | 0.5645 | 56.45% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9076 | 90.76% |
| OATP1B3 inhibitior | + | 0.9493 | 94.93% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | - | 0.7162 | 71.62% |
| P-glycoprotein inhibitior | - | 0.9403 | 94.03% |
| P-glycoprotein substrate | - | 0.5813 | 58.13% |
| CYP3A4 substrate | - | 0.5265 | 52.65% |
| CYP2C9 substrate | - | 0.6023 | 60.23% |
| CYP2D6 substrate | - | 0.6886 | 68.86% |
| CYP3A4 inhibition | - | 0.8100 | 81.00% |
| CYP2C9 inhibition | - | 0.7818 | 78.18% |
| CYP2C19 inhibition | - | 0.7748 | 77.48% |
| CYP2D6 inhibition | - | 0.8666 | 86.66% |
| CYP1A2 inhibition | - | 0.5742 | 57.42% |
| CYP2C8 inhibition | - | 0.6518 | 65.18% |
| CYP inhibitory promiscuity | - | 0.6903 | 69.03% |
| UGT catelyzed | - | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.9500 | 95.00% |
| Carcinogenicity (trinary) | Non-required | 0.6367 | 63.67% |
| Eye corrosion | - | 0.9904 | 99.04% |
| Eye irritation | - | 0.9568 | 95.68% |
| Skin irritation | - | 0.7256 | 72.56% |
| Skin corrosion | - | 0.9028 | 90.28% |
| Ames mutagenesis | - | 0.5800 | 58.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4151 | 41.51% |
| Micronuclear | - | 0.6000 | 60.00% |
| Hepatotoxicity | - | 0.6269 | 62.69% |
| skin sensitisation | - | 0.7805 | 78.05% |
| Respiratory toxicity | + | 0.7333 | 73.33% |
| Reproductive toxicity | + | 0.7444 | 74.44% |
| Mitochondrial toxicity | + | 0.7750 | 77.50% |
| Nephrotoxicity | - | 0.8648 | 86.48% |
| Acute Oral Toxicity (c) | III | 0.5893 | 58.93% |
| Estrogen receptor binding | + | 0.5271 | 52.71% |
| Androgen receptor binding | - | 0.6298 | 62.98% |
| Thyroid receptor binding | + | 0.5872 | 58.72% |
| Glucocorticoid receptor binding | + | 0.6037 | 60.37% |
| Aromatase binding | + | 0.5397 | 53.97% |
| PPAR gamma | + | 0.8409 | 84.09% |
| Honey bee toxicity | - | 0.8689 | 86.89% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.7200 | 72.00% |
| Fish aquatic toxicity | - | 0.8052 | 80.52% |
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 | 97.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.06% | 92.68% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.06% | 91.49% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.91% | 97.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.36% | 97.25% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 89.74% | 93.92% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.76% | 92.88% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.92% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.92% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.71% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.66% | 86.92% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.73% | 93.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 146682190 |
| LOTUS | LTS0072680 |
| wikiData | Q105237601 |