15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol
| Internal ID | 48e7d642-c218-429f-9215-aa92eb1d1fb3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H27NO/c1-11-10-16-12-4-2-8-17(16)9-3-5-14(16)13(7-6-12)15(11)18/h11-15,18H,2-10H2,1H3 |
| InChI Key | ANZDCOUFLQZNEJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H27NO |
| Molecular Weight | 249.39 g/mol |
| Exact Mass | 249.209264485 g/mol |
| Topological Polar Surface Area (TPSA) | 23.50 Ų |
| XlogP | 2.70 |
| Atomic LogP (AlogP) | 2.66 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 0 |
| There are no found synonyms. |
![2D Structure of 15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/15-methyl-6-azatetracyclo8600160213hexadecan-14-ol.jpg "2D Structure of 15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9699 | 96.99% |
| Caco-2 | + | 0.6894 | 68.94% |
| Blood Brain Barrier | + | 0.9379 | 93.79% |
| Human oral bioavailability | + | 0.5286 | 52.86% |
| Subcellular localzation | Lysosomes | 0.4912 | 49.12% |
| OATP2B1 inhibitior | - | 0.8528 | 85.28% |
| OATP1B1 inhibitior | + | 0.9490 | 94.90% |
| OATP1B3 inhibitior | + | 0.9492 | 94.92% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | + | 0.6750 | 67.50% |
| BSEP inhibitior | - | 0.8310 | 83.10% |
| P-glycoprotein inhibitior | - | 0.9345 | 93.45% |
| P-glycoprotein substrate | - | 0.8103 | 81.03% |
| CYP3A4 substrate | + | 0.5809 | 58.09% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | + | 0.5975 | 59.75% |
| CYP3A4 inhibition | - | 0.7210 | 72.10% |
| CYP2C9 inhibition | - | 0.8619 | 86.19% |
| CYP2C19 inhibition | - | 0.9163 | 91.63% |
| CYP2D6 inhibition | + | 0.5339 | 53.39% |
| CYP1A2 inhibition | - | 0.8713 | 87.13% |
| CYP2C8 inhibition | - | 0.8708 | 87.08% |
| CYP inhibitory promiscuity | - | 0.9564 | 95.64% |
| UGT catelyzed | + | 0.9000 | 90.00% |
| Carcinogenicity (binary) | - | 1.0000 | 100.00% |
| Carcinogenicity (trinary) | Non-required | 0.5863 | 58.63% |
| Eye corrosion | - | 0.9559 | 95.59% |
| Eye irritation | - | 0.5635 | 56.35% |
| Skin irritation | - | 0.5738 | 57.38% |
| Skin corrosion | - | 0.5159 | 51.59% |
| Ames mutagenesis | - | 0.6800 | 68.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5734 | 57.34% |
| Micronuclear | - | 0.8100 | 81.00% |
| Hepatotoxicity | + | 0.5032 | 50.32% |
| skin sensitisation | - | 0.8316 | 83.16% |
| Respiratory toxicity | + | 0.7667 | 76.67% |
| Reproductive toxicity | + | 0.6889 | 68.89% |
| Mitochondrial toxicity | + | 0.8875 | 88.75% |
| Nephrotoxicity | - | 0.8975 | 89.75% |
| Acute Oral Toxicity (c) | III | 0.5101 | 51.01% |
| Estrogen receptor binding | - | 0.6495 | 64.95% |
| Androgen receptor binding | - | 0.5296 | 52.96% |
| Thyroid receptor binding | - | 0.4876 | 48.76% |
| Glucocorticoid receptor binding | - | 0.6018 | 60.18% |
| Aromatase binding | - | 0.6837 | 68.37% |
| PPAR gamma | - | 0.7831 | 78.31% |
| Honey bee toxicity | - | 0.9022 | 90.22% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | + | 0.5100 | 51.00% |
| Fish aquatic toxicity | - | 0.7015 | 70.15% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.45% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.98% | 94.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.82% | 85.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.86% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.29% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.05% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.24% | 92.94% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.20% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.19% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.16% | 93.04% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.91% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.95% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.60% | 96.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.38% | 90.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.17% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163023249 |
| LOTUS | LTS0035227 |
| wikiData | Q104915502 |