(2S)-2-methyl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-3,4-dihydrochromen-6-ol
| Internal ID | 6409bf5f-2eb3-4276-adc2-7523b428338d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S)-2-methyl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-3,4-dihydrochromen-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H46O2/c1-24(2)11-7-12-25(3)13-8-14-26(4)15-9-16-27(5)17-10-21-31(6)22-20-28-23-29(32)18-19-30(28)33-31/h11,13,15,17-19,23,32H,7-10,12,14,16,20-22H2,1-6H3/b25-13+,26-15+,27-17+/t31-/m0/s1 |
| InChI Key | QEUFXXOQTUTVSW-BWDMUOMNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H46O2 |
| Molecular Weight | 450.70 g/mol |
| Exact Mass | 450.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of (2S)-2-methyl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-3,4-dihydrochromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e2ee7480-8446-11ee-9083-49526b9a15ab.jpg "2D Structure of (2S)-2-methyl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-3,4-dihydrochromen-6-ol")
| 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 | 99.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.37% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.72% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.70% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.65% | 92.08% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.05% | 98.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.81% | 93.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.73% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.49% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.38% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.96% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.93% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.60% | 89.05% |
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 | 163186807 |
| LOTUS | LTS0080821 |
| wikiData | Q105219387 |