15-[1-(4,5-Dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
| Internal ID | fa74de61-1fca-4c0b-9040-12d9ae748ff9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-[1-(4,5-dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| SMILES (Canonical) | CC(C)C1(CC(OC1O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)C(CC(C6(C)C(=O)O)O)O)C)C)O |
| SMILES (Isomeric) | CC(C)C1(CC(OC1O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)C(CC(C6(C)C(=O)O)O)O)C)C)O |
| InChI | InChI=1S/C31H50O7/c1-16(2)31(37)14-19(38-25(31)36)17(3)18-9-10-27(5)20-7-8-21-28(6,24(34)35)22(32)13-23(33)30(21)15-29(20,30)12-11-26(18,27)4/h16-23,25,32-33,36-37H,7-15H2,1-6H3,(H,34,35) |
| InChI Key | LJGQDTOIMKCBDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O7 |
| Molecular Weight | 534.70 g/mol |
| Exact Mass | 534.35565393 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 15-[1-(4,5-Dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e48862f0-85da-11ee-bcf9-57afa61c8236.jpg "2D Structure of 15-[1-(4,5-Dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.87% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.14% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.85% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.93% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.71% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.38% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.88% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.56% | 96.77% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.75% | 95.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.93% | 85.31% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.17% | 95.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.15% | 93.04% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.09% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.62% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.02% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.82% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.65% | 97.14% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 82.42% | 99.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.15% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.06% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.69% | 96.47% |
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.
| Passiflora edulis |
| PubChem | 163014802 |
| LOTUS | LTS0097088 |
| wikiData | Q105152566 |