Coronalolic acid
| Internal ID | a2c602d4-c3eb-4452-9abb-7fb9331f18f7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O4/c1-20(17-31)7-6-8-21(2)23-11-13-28(5)25-10-9-24(22(3)18-32)29(14-12-26(33)34)19-30(25,29)16-15-27(23,28)4/h7,17,21,23-25,32H,3,6,8-16,18-19H2,1-2,4-5H3,(H,33,34)/b20-7+/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChI Key | IOFXIXOKOAYADV-ICQJXUMVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.20 |
| 268214-52-4 |
| 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid |
| Coronalonic acid |
| HY-N3625 |
| AKOS040740755 |
| FS-9693 |
| CS-0023958 |
| 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 | 95.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.75% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.29% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.05% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.00% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.27% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.14% | 93.56% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.89% | 97.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.10% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.68% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.68% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.28% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.07% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.76% | 100.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.13% | 96.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.07% | 99.35% |
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.
| Gardenia coronaria |
| PubChem | 10648063 |
| LOTUS | LTS0083320 |
| wikiData | Q105116630 |