(1S,4R,9R,10S,13R,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one
| Internal ID | a685a766-faf1-426d-ba7b-b57122ba176e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4R,9R,10S,13R,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one |
| SMILES (Canonical) | CC1(CC(=O)CC2(C1CCC34C2(CCC(C3)C(C4)(CO)O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CC(=O)CC([C@H]1CC[C@]34[C@]2(CC[C@H](C3)[C@](C4)(CO)O)O)(C)C |
| InChI | InChI=1S/C20H32O4/c1-16(2)9-14(22)10-17(3)15(16)5-6-18-8-13(4-7-20(17,18)24)19(23,11-18)12-21/h13,15,21,23-24H,4-12H2,1-3H3/t13-,15-,17-,18+,19+,20-/m1/s1 |
| InChI Key | HBNVVMQCGSVOKF-VTXSFXCNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,4R,9R,10S,13R,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/187d0940-82a5-11ee-9523-2503fbe0afe5.jpg "2D Structure of (1S,4R,9R,10S,13R,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one")
| 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 | 97.07% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.18% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.90% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.59% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.44% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.20% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.41% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.89% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.32% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.44% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.15% | 90.00% |
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.
| Rubus corchorifolius |
| PubChem | 102166385 |
| LOTUS | LTS0118995 |
| wikiData | Q105025389 |