[2-[3-(3-methoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propyl]oxiran-2-yl]methanol
| Internal ID | c107e3e9-9824-446b-9f99-cbfd7ca0d47c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | [2-[3-(3-methoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propyl]oxiran-2-yl]methanol |
| SMILES (Canonical) | CC(C)C1=C(C=C2CC(CCCC2=C1)CCCC3(CO3)CO)OC |
| SMILES (Isomeric) | CC(C)C1=C(C=C2CC(CCCC2=C1)CCCC3(CO3)CO)OC |
| InChI | InChI=1S/C21H32O3/c1-15(2)19-11-17-8-4-6-16(10-18(17)12-20(19)23-3)7-5-9-21(13-22)14-24-21/h11-12,15-16,22H,4-10,13-14H2,1-3H3 |
| InChI Key | GXBBGUURQXDBGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [2-[3-(3-methoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propyl]oxiran-2-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/a0634180-875d-11ee-bf89-617ead216bc8.jpg "2D Structure of [2-[3-(3-methoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propyl]oxiran-2-yl]methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.79% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.38% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.60% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.11% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.64% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.89% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.67% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.29% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.84% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.67% | 99.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.81% | 93.18% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.29% | 99.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.05% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.94% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.72% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.94% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.20% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.76% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.03% | 97.14% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.01% | 91.65% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.33% | 98.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.30% | 98.33% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.07% | 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.
| Chamaecyparis formosensis |
| PubChem | 100983034 |
| LOTUS | LTS0210881 |
| wikiData | Q105022954 |