2-methyl-3-[(2E,7R,9E,13E,17E,21E,25Z,29E,33E)-3,7,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,9,13,17,21,25,29,33-octaenyl]naphthalene-1,4-dione
| Internal ID | b8e60a94-e7d5-4822-aae5-3bff85eb8482 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | 2-methyl-3-[(2E,7R,9E,13E,17E,21E,25Z,29E,33E)-3,7,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,9,13,17,21,25,29,33-octaenyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC(C)CCCC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)C)C)C)C)C)C)C)C)C |
| SMILES (Isomeric) | CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/C[C@H](C)CCC/C(=C/CC1=C(C(=O)C2=CC=CC=C2C1=O)C)/C)/C)/C)/C)/C)/C)/C)/C |
| InChI | InChI=1S/C56H82O2/c1-12-42(2)22-15-23-43(3)24-16-25-44(4)26-17-27-45(5)28-18-29-46(6)30-19-31-47(7)32-20-33-48(8)38-39-49(9)34-21-35-50(10)40-41-52-51(11)55(57)53-36-13-14-37-54(53)56(52)58/h13-14,22,24,26,28,30,32,36-38,40,49H,12,15-21,23,25,27,29,31,33-35,39,41H2,1-11H3/b42-22+,43-24+,44-26-,45-28+,46-30+,47-32+,48-38+,50-40+/t49-/m1/s1 |
| InChI Key | QOLYPTJVMRTSGC-GSBZYATFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H82O2 |
| Molecular Weight | 787.20 g/mol |
| Exact Mass | 786.63148185 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 19.10 |
| There are no found synonyms. |
![2D Structure of 2-methyl-3-[(2E,7R,9E,13E,17E,21E,25Z,29E,33E)-3,7,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,9,13,17,21,25,29,33-octaenyl]naphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8c658df0-8582-11ee-838f-135610acc6a8.jpg "2D Structure of 2-methyl-3-[(2E,7R,9E,13E,17E,21E,25Z,29E,33E)-3,7,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,9,13,17,21,25,29,33-octaenyl]naphthalene-1,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.06% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.35% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.25% | 91.49% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.46% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.17% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.71% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.14% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.47% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.50% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.39% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.92% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.47% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.73% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.01% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 163195425 |
| LOTUS | LTS0079839 |
| wikiData | Q105224986 |