(E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhept-5-ene-2,3-diol
| Internal ID | 723f7e97-0dcb-4479-8cf7-abf427897b40 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhept-5-ene-2,3-diol |
| SMILES (Canonical) | CC(=C)C1CC(CCC1(C)C=C)C(=CCC(C(C)(C)O)O)C |
| SMILES (Isomeric) | CC(=C)[C@H]1C[C@H](CC[C@]1(C)C=C)/C(=C/C[C@H](C(C)(C)O)O)/C |
| InChI | InChI=1S/C20H34O2/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18(21)19(5,6)22/h8-9,16-18,21-22H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1 |
| InChI Key | CFHHZCDUEIUCET-JZXJGBJOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhept-5-ene-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e3r-6-1s3r4r-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl-2-methylhept-5-ene-23-diol.jpg "2D Structure of (E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhept-5-ene-2,3-diol")
| 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 | 99.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.82% | 85.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.41% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.82% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.87% | 98.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.59% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.44% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.92% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.87% | 97.93% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.64% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.95% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.44% | 91.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.40% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.26% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.09% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.91% | 94.66% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.61% | 92.88% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.55% | 98.05% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.51% | 97.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.20% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.59% | 100.00% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 81.49% | 93.85% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.49% | 92.86% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.48% | 95.69% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 81.28% | 91.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.76% | 97.14% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.25% | 97.64% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 15726505 |
| LOTUS | LTS0197490 |
| wikiData | Q104956554 |