4-(hydroxymethyl)-4a,7,8-trimethyl-8-(3-methylidenepent-4-enyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
| Internal ID | 63cc2f74-4a47-4261-be02-a87d7dcc30e7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 4-(hydroxymethyl)-4a,7,8-trimethyl-8-(3-methylidenepent-4-enyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=C)C=C)CC(=O)C=C2CO)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(=C)C=C)CC(=O)C=C2CO)C |
| InChI | InChI=1S/C20H30O2/c1-6-14(2)7-9-19(4)15(3)8-10-20(5)16(13-21)11-17(22)12-18(19)20/h6,11,15,18,21H,1-2,7-10,12-13H2,3-5H3 |
| InChI Key | FHUQFDMHMZDRRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.80 |
| 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 | 97.65% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.63% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.48% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.06% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.00% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.06% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.96% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.71% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.54% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.64% | 94.80% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.84% | 91.49% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.00% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.90% | 97.09% |
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.
| Casearia corymbosa |
| PubChem | 14705615 |
| LOTUS | LTS0083131 |
| wikiData | Q104995464 |