6-(6-Hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
| Internal ID | c2237b63-a152-4ddc-be1c-67c59b713613 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(6-hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid |
| SMILES (Canonical) | CC1CC(C2(C1C3CCC4C(C(CCC45C3(C5)CC2)O)(C)C)C)C(C)CCC=C(C)C(=O)O |
| SMILES (Isomeric) | CC1CC(C2(C1C3CCC4C(C(CCC45C3(C5)CC2)O)(C)C)C)C(C)CCC=C(C)C(=O)O |
| InChI | InChI=1S/C30H48O3/c1-18(8-7-9-19(2)26(32)33)22-16-20(3)25-21-10-11-23-27(4,5)24(31)12-13-30(23)17-29(21,30)15-14-28(22,25)6/h9,18,20-25,31H,7-8,10-17H2,1-6H3,(H,32,33) |
| InChI Key | BZJFZRWUAUGEDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 6-(6-Hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/18d3ce70-85ae-11ee-8b1e-6be53b93bb30.jpg "2D Structure of 6-(6-Hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic 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 | 97.05% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.44% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.13% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.59% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.26% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.75% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.99% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.72% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.65% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.56% | 91.19% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.87% | 98.75% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.63% | 98.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.07% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.57% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.36% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.02% | 100.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.81% | 96.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.68% | 96.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.48% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.83% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.53% | 99.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.70% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.46% | 96.77% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.41% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.39% | 92.94% |
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.
| Mangifera indica |
| PubChem | 162945698 |
| LOTUS | LTS0203712 |
| wikiData | Q105006365 |