(1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
| Internal ID | 7e2b4798-da99-4fd3-b469-d070abf41ea7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19+,20+,21+,22+,23+,24+,26-,27+,28+,29+,30-,31-/m1/s1 |
| InChI Key | CPHVNLRAJPTYSD-JDDXDNSYSA-N |
| Popularity | 3 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 | 4.60 |
| There are no found synonyms. |
![2D Structure of (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-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/f2ddb2b0-84d3-11ee-8aba-77e6ae035748.jpg "2D Structure of (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.10% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.94% | 99.35% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 93.12% | 87.16% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.65% | 96.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.49% | 85.31% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.75% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.91% | 91.19% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 87.78% | 95.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.54% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.40% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.42% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.31% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.83% | 96.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.76% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.69% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.63% | 98.10% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.28% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.94% | 93.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.22% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.80% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.80% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.08% | 96.47% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.94% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.74% | 89.34% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.66% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.57% | 98.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.12% | 95.93% |
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 | 21609739 |
| LOTUS | LTS0134191 |
| wikiData | Q104967553 |