4,6,14-Trihydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
| Internal ID | 2fc5efb0-a28d-447c-83f6-11c621ee3f6d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 4,6,14-trihydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| SMILES (Canonical) | CC(CCC=C(C)C)C1C(CC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C)O |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1C(CC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C)O |
| InChI | InChI=1S/C30H48O5/c1-17(2)8-7-9-18(3)24-19(31)15-27(5)20-10-11-21-28(6,25(34)35)22(32)14-23(33)30(21)16-29(20,30)13-12-26(24,27)4/h8,18-24,31-33H,7,9-16H2,1-6H3,(H,34,35) |
| InChI Key | VWNUHNZMJZXAEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 4,6,14-Trihydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7be3b9c0-825c-11ee-a0d6-fd2ab708c3ea.jpg "2D Structure of 4,6,14-Trihydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.40% | 94.45% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 96.13% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.02% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.84% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.65% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.85% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.91% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.00% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.46% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.23% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.01% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.72% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.52% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.44% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.19% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.65% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.05% | 85.31% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.04% | 97.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.85% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.64% | 85.14% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.58% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.52% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.72% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.59% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.32% | 91.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.98% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.81% | 95.58% |
| CHEMBL4683 | Q12884 | Fibroblast activation protein alpha | 81.31% | 93.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.71% | 96.47% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.51% | 96.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.46% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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.
| Acalypha communis |
| PubChem | 85096903 |
| LOTUS | LTS0196567 |
| wikiData | Q105298187 |