Kauran-18-Olc Acid,16,1719-Tnhydroxy-,(4A)
| Internal ID | 7b5e1c5e-7282-43d7-a38e-3f033d257b8f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 14-hydroxy-5,14-bis(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(CO)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(CO)C(=O)O |
| InChI | InChI=1S/C20H32O5/c1-17-6-2-7-19(11-21,16(23)24)15(17)5-8-18-9-13(3-4-14(17)18)20(25,10-18)12-22/h13-15,21-22,25H,2-12H2,1H3,(H,23,24) |
| InChI Key | DWSHSMIESAAXBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.20 |
| 308821-59-2 |
| Compound NP-022808 |
| (10alpha)-16alpha,17,19-Trihydroxykaurane-18-oic acid |
| AKOS040737628 |
| 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 | 93.17% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.21% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.01% | 83.82% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.85% | 97.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.76% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.49% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.95% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.32% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.72% | 95.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.58% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.02% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.45% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.63% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.60% | 98.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.54% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.15% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.92% | 98.10% |
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.
| Dipteris conjugata |
| PubChem | 73813150 |
| LOTUS | LTS0213382 |
| wikiData | Q104990723 |