10-Hydroxy-5,9,14-trimethyl-6-(3-methylbutanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
| Internal ID | 693f7791-3e81-43f2-979b-e3c553f0b592 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 10-hydroxy-5,9,14-trimethyl-6-(3-methylbutanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid |
| SMILES (Canonical) | CC1=CC23CCC4C(C2(CCC1C3)O)(CCC(C4(C)C(=O)O)OC(=O)CC(C)C)C |
| SMILES (Isomeric) | CC1=CC23CCC4C(C2(CCC1C3)O)(CCC(C4(C)C(=O)O)OC(=O)CC(C)C)C |
| InChI | InChI=1S/C25H38O5/c1-15(2)12-20(26)30-19-8-9-22(4)18(23(19,5)21(27)28)7-10-24-13-16(3)17(14-24)6-11-25(22,24)29/h13,15,17-19,29H,6-12,14H2,1-5H3,(H,27,28) |
| InChI Key | AYDZRQYYCPUVMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-5,9,14-trimethyl-6-(3-methylbutanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/bd7567d0-86f0-11ee-8fa7-419f379769fa.jpg "2D Structure of 10-Hydroxy-5,9,14-trimethyl-6-(3-methylbutanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.17% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.42% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.33% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.03% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.25% | 95.17% |
| CHEMBL5028 | O14672 | ADAM10 | 84.05% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.69% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.17% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.50% | 92.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.44% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.15% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.57% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.25% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.10% | 86.33% |
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.
| Polymnia canadensis |
| PubChem | 162870256 |
| LOTUS | LTS0237139 |
| wikiData | Q104921034 |