Conionaphthalenediol
| Internal ID | 9116d5e4-60af-4cb2-8f85-013ae01e25df |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (2E,4E,6E,8E,10R,11S)-10-hydroxy-12-[[(1S,3R,4R)-4-hydroxy-3,7,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid |
| SMILES (Canonical) | CC1CC(C2=C(C1O)C=CC(=C2C)C)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O |
| SMILES (Isomeric) | C[C@@H]1C[C@@H](C2=C([C@@H]1O)C=CC(=C2C)C)OC(=O)[C@@H](C)[C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O |
| InChI | InChI=1S/C28H36O6/c1-16(10-8-12-24(29)30)9-7-11-18(3)26(31)21(6)28(33)34-23-15-19(4)27(32)22-14-13-17(2)20(5)25(22)23/h7-14,19,21,23,26-27,31-32H,15H2,1-6H3,(H,29,30)/b9-7+,12-8+,16-10+,18-11+/t19-,21+,23+,26+,27-/m1/s1 |
| InChI Key | PYKXHOFMTCEFRT-QZKZSRRZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H36O6 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.30 |
| 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 | 91.93% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.76% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.70% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.45% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.12% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.39% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.71% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.58% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.54% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.77% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.28% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 81.11% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 139589743 |
| LOTUS | LTS0112308 |
| wikiData | Q105216636 |