Halicloic Acid A
| Internal ID | dd174272-dec8-4897-815d-2f7ab8cbee3b |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | 2-hydroxy-2-[(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-7-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H56O5/c1-33(2)15-8-16-38(7)25(33)11-18-36(5)27-12-17-35(4)26(34(27,3)20-14-29(36)43-38)13-19-37(6)28(35)21-23-24(39)10-9-22(30(23)37)31(40)32(41)42/h9-10,25-29,31,39-40H,8,11-21H2,1-7H3,(H,41,42)/t25-,26+,27+,28-,29-,31?,34+,35+,36-,37-,38-/m0/s1 |
| InChI Key | NAKUKBFDSKFFRM-PDDLSVGESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H56O5 |
| Molecular Weight | 592.80 g/mol |
| Exact Mass | 592.41277488 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 9.20 |
| Halicloic Acid A |
| BDBM50421038 |
| 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 | 98.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.43% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.06% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.20% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.11% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.97% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.57% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.27% | 94.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.23% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.11% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.96% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.19% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.16% | 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 | 66553577 |
| LOTUS | LTS0177103 |
| wikiData | Q105176374 |