6,7-dideoxy-squalestatin H5
| Internal ID | a74e3964-1676-4fd6-825a-7c8f54df9d6a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | (1S,3S,4S,5R)-1-[(E)-3,5-dimethyl-6-phenylhex-3-enyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| SMILES (Canonical) | CC(CC1=CC=CC=C1)C=C(C)CCC23CCC(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O |
| SMILES (Isomeric) | CC(CC1=CC=CC=C1)/C=C(\C)/CC[C@@]23CC[C@@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O |
| InChI | InChI=1S/C23H28O9/c1-14(12-15(2)13-16-6-4-3-5-7-16)8-9-21-10-11-22(32-21,19(26)27)23(30,20(28)29)17(31-21)18(24)25/h3-7,12,15,17,30H,8-11,13H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b14-12+/t15?,17-,21+,22+,23-/m1/s1 |
| InChI Key | OGZGHCQBWIVONK-NSAMSFTNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28O9 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.18% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.69% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.11% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.47% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.15% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.32% | 94.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.65% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.18% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.15% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.14% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.38% | 97.14% |
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 | 139584766 |
| LOTUS | LTS0069155 |
| wikiData | Q77375460 |