6-hydroxy-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
| Internal ID | 03bc4ea3-ce60-417b-b43b-b1ea3ffce32a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 6-hydroxy-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CC1C(CC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C)O |
| SMILES (Isomeric) | CC1C(CC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C)O |
| InChI | InChI=1S/C20H32O3/c1-7-18(4,23)8-9-19(5)14(3)16(22)12-20(6)13(2)10-15(21)11-17(19)20/h7,10,14,16-17,22-23H,1,8-9,11-12H2,2-6H3 |
| InChI Key | JPZIPCONPIVLJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.90 |
| 6-hydroxy-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one |
| 4a,5,6,7,8,8a-Hexahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4a,7,8-tetramethylnaphthalen-2 |
| DTXSID001108017 |
| 1217743-31-1 |
| 4a,5,6,7,8,8a-Hexahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-penten-1-yl)-4,4a,7,8-tetramethyl-2(1H)-naphthalenone |
| 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 | 97.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.18% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.89% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.57% | 85.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.51% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.35% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.99% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.78% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.93% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.21% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.34% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.31% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.42% | 96.95% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.54% | 97.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.40% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 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.
| Stachys annua |
| PubChem | 3815687 |
| LOTUS | LTS0069057 |
| wikiData | Q105133404 |