3-Hydroxy-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-6a-carboxylic acid
| Internal ID | 11e70108-4a48-443d-b1ad-3953f7e4cf6b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-hydroxy-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-6a-carboxylic acid |
| SMILES (Canonical) | CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C(=O)O)C)C)O |
| SMILES (Isomeric) | CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C(=O)O)C)C)O |
| InChI | InChI=1S/C30H50O3/c1-19-20(31)8-9-21-27(19,5)11-10-22-28(21,6)15-17-30(24(32)33)23-18-25(2,3)12-13-26(23,4)14-16-29(22,30)7/h19-23,31H,8-18H2,1-7H3,(H,32,33) |
| InChI Key | XNDUZWOBKCRQAK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 8.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.91% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.71% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.39% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.12% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.92% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.44% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.08% | 97.09% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.67% | 95.52% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.46% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.79% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.43% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.08% | 82.69% |
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.
| Gynocardia odorata |
| Phyllanthus flexuosus |
| PubChem | 14110791 |
| LOTUS | LTS0162858 |
| wikiData | Q105331582 |