Cyclopassifloic acid C
| Internal ID | 57b8447f-a686-4f63-bbfb-80f4a8818503 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-[2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| SMILES (Canonical) | CC(C)C(CCC(C)(C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C)O)(CO)O |
| SMILES (Isomeric) | CC(C)C(CCC(C)(C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C)O)(CO)O |
| InChI | InChI=1S/C31H52O7/c1-18(2)30(38,17-32)14-12-27(5,37)19-9-10-25(3)20-7-8-21-28(6,24(35)36)22(33)15-23(34)31(21)16-29(20,31)13-11-26(19,25)4/h18-23,32-34,37-38H,7-17H2,1-6H3,(H,35,36) |
| InChI Key | MXCWXDOOLGFUMA-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H52O7 |
| Molecular Weight | 536.70 g/mol |
| Exact Mass | 536.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.28% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.54% | 96.95% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 91.90% | 87.16% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.88% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.67% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.20% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.48% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.28% | 91.11% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.07% | 95.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.80% | 85.31% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.79% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.76% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.23% | 91.19% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.53% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.49% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.40% | 96.38% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.37% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.00% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.93% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.22% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.83% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.87% | 93.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.76% | 89.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.56% | 93.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.37% | 98.10% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.78% | 89.34% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.68% | 97.64% |
| CHEMBL5028 | O14672 | ADAM10 | 80.59% | 97.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.56% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.44% | 93.04% |
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.
| Gypothamnium pinifolium |
| Passiflora edulis |
| PubChem | 73800246 |
| LOTUS | LTS0074632 |
| wikiData | Q105202401 |