10-Hydroxy-5,9-dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Internal ID | d77b2fd3-441a-48ae-8339-e1a29d196458 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 10-hydroxy-5,9-dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2(CCC(C3)C(=C)C4OC(=O)C=CC5=CC=CC=C5)O)C)C(=O)O |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2(CCC(C3)C(=C)C4OC(=O)C=CC5=CC=CC=C5)O)C)C(=O)O |
| InChI | InChI=1S/C29H36O5/c1-19-21-12-17-29(33)27(3)15-7-14-26(2,25(31)32)22(27)13-16-28(29,18-21)24(19)34-23(30)11-10-20-8-5-4-6-9-20/h4-6,8-11,21-22,24,33H,1,7,12-18H2,2-3H3,(H,31,32) |
| InChI Key | GZKHYVJXWLTZOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O5 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-5,9-dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/078a8bc0-8636-11ee-903c-594d887442b0.jpg "2D Structure of 10-Hydroxy-5,9-dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.34% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.28% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.59% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.88% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.27% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 86.16% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.81% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.91% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.70% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.93% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.93% | 94.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.18% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.08% | 94.08% |
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.
| Mikania sessilifolia |
| PubChem | 85096585 |
| LOTUS | LTS0133310 |
| wikiData | Q105024425 |