2-[(2E,6E,10E,12R)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-6-methylbenzene-1,4-diol
| Internal ID | 8a473fe5-d3f3-4b83-ac53-6ef455d03b91 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[(2E,6E,10E,12R)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-6-methylbenzene-1,4-diol |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CCC=C(C)CCC=C(CO)C(CC=C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\CO)/[C@@H](CC=C(C)C)O)O |
| InChI | InChI=1S/C27H40O4/c1-19(2)12-15-26(30)24(18-28)11-7-10-20(3)8-6-9-21(4)13-14-23-17-25(29)16-22(5)27(23)31/h8,11-13,16-17,26,28-31H,6-7,9-10,14-15,18H2,1-5H3/b20-8+,21-13+,24-11+/t26-/m1/s1 |
| InChI Key | MXNRWUKSLBZGMA-YXOCCJLKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H40O4 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 2-[(2E,6E,10E,12R)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-6-methylbenzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4751f0a0-85c0-11ee-b5ef-edd1793417a3.jpg "2D Structure of 2-[(2E,6E,10E,12R)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-6-methylbenzene-1,4-diol")
| 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 | 98.14% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.76% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.79% | 83.57% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.31% | 93.10% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.62% | 97.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.67% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.43% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.35% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.19% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.91% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.81% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.75% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.33% | 92.68% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.85% | 90.00% |
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 | 162856150 |
| LOTUS | LTS0129270 |
| wikiData | Q105174393 |