(4S,5S,6E,10E)-12-(1H-indol-3-yl)-2,6,10-trimethyldodeca-2,6,10-triene-4,5-diol
| Internal ID | 03c6b015-07c6-4efe-8b83-c48ddbff9de9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4S,5S,6E,10E)-12-(1H-indol-3-yl)-2,6,10-trimethyldodeca-2,6,10-triene-4,5-diol |
| SMILES (Canonical) | CC(=CC(C(C(=CCCC(=CCC1=CNC2=CC=CC=C21)C)C)O)O)C |
| SMILES (Isomeric) | CC(=C[C@@H]([C@H](/C(=C/CC/C(=C/CC1=CNC2=CC=CC=C21)/C)/C)O)O)C |
| InChI | InChI=1S/C23H31NO2/c1-16(2)14-22(25)23(26)18(4)9-7-8-17(3)12-13-19-15-24-21-11-6-5-10-20(19)21/h5-6,9-12,14-15,22-26H,7-8,13H2,1-4H3/b17-12+,18-9+/t22-,23-/m0/s1 |
| InChI Key | RWUFSDSPFFBHHT-NNPOLXHASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO2 |
| Molecular Weight | 353.50 g/mol |
| Exact Mass | 353.235479232 g/mol |
| Topological Polar Surface Area (TPSA) | 56.20 Ų |
| XlogP | 5.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.73% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.66% | 94.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.47% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.36% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.21% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.85% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.82% | 88.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.12% | 92.08% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.59% | 89.62% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.56% | 95.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.85% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.74% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.60% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.04% | 83.10% |
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.
| Uvaria pandensis |
| PubChem | 163189244 |
| LOTUS | LTS0192115 |
| wikiData | Q105246758 |