5-(8,9-Dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
| Internal ID | 3ecc46df-2153-4a87-bea5-4e3c4b8fd4bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-(8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)C(C(C=C(C)CCC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)C(C(C=C(C)CCC=C(C)C)O)O)C |
| InChI | InChI=1S/C28H40O4/c1-18(2)10-8-12-20(4)16-26(30)27(31)21(5)13-9-11-19(3)14-15-24-17-25(29)22(6)23(7)28(24)32/h10,13-14,16-17,26-27,30-31H,8-9,11-12,15H2,1-7H3 |
| InChI Key | XTNDEUGOLGGYFA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O4 |
| Molecular Weight | 440.60 g/mol |
| Exact Mass | 440.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
| 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 | 97.69% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.94% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.76% | 85.14% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.36% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.55% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.03% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.24% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.08% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.30% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.29% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.76% | 99.17% |
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 | 163027226 |
| LOTUS | LTS0068050 |
| wikiData | Q105341679 |