8-(hydroxymethyl)-4-(5-hydroxy-3-methylpent-3-enyl)-3,4a,8-trimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
| Internal ID | 89335f46-cd4f-4689-8c5c-187f6a34d379 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 8-(hydroxymethyl)-4-(5-hydroxy-3-methylpent-3-enyl)-3,4a,8-trimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CC1C(C2(CCCC(C2CC1=O)(C)CO)C)CCC(=CCO)C |
| SMILES (Isomeric) | CC1C(C2(CCCC(C2CC1=O)(C)CO)C)CCC(=CCO)C |
| InChI | InChI=1S/C20H34O3/c1-14(8-11-21)6-7-16-15(2)17(23)12-18-19(3,13-22)9-5-10-20(16,18)4/h8,15-16,18,21-22H,5-7,9-13H2,1-4H3 |
| InChI Key | RDTPPSLOWRHVOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.57% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.29% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.60% | 93.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.42% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.27% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.02% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.82% | 95.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.09% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.97% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.47% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.56% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.00% | 82.69% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.93% | 90.08% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.05% | 95.89% |
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.
| Sideritis chamaedryfolia |
| PubChem | 163076588 |
| LOTUS | LTS0092469 |
| wikiData | Q105234445 |