(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoxy]-3,4-dihydrochromen-6-ol
| Internal ID | ba136d69-5b7a-438c-8fc4-6358fc3ac49f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoxy]-3,4-dihydrochromen-6-ol |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(CC2)(C)OCCC=C(C)CCC=C(C)CCC=C(C)C)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1O[C@@](CC2)(C)OCC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
| InChI | InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-17-29-27(6)16-15-24-19-25(28)18-23(5)26(24)30-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1 |
| InChI Key | BTNBMQIHCRIGOU-LDYBVBFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoxy]-3,4-dihydrochromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-28-dimethyl-2-3e7e-4812-trimethyltrideca-3711-trienoxy-34-dihydrochromen-6-ol.jpg "2D Structure of (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoxy]-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 | 98.87% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.76% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.73% | 97.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.23% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.46% | 86.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.94% | 99.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.29% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.34% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.33% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.16% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.38% | 95.56% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.15% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.00% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.76% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.56% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.83% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.78% | 91.07% |
| CHEMBL2721 | P43005 | Excitatory amino acid transporter 3 | 80.38% | 93.50% |
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.
| Garcinia multiflora |
| PubChem | 163186345 |
| LOTUS | LTS0269411 |
| wikiData | Q104945747 |