(1R,3S,4R,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
| Internal ID | 3e302bd4-7e78-472a-9511-32ca01a8b282 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,3S,4R,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol |
| SMILES (Canonical) | CC1(CCCC2(C1C(CC(C2CCC(=C)C=C)(C)O)O)C)CO |
| SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@@H]1[C@@H](C[C@]([C@@H]2CCC(=C)C=C)(C)O)O)C)CO |
| InChI | InChI=1S/C20H34O3/c1-6-14(2)8-9-16-19(4)11-7-10-18(3,13-21)17(19)15(22)12-20(16,5)23/h6,15-17,21-23H,1-2,7-13H2,3-5H3/t15-,16-,17-,18-,19+,20+/m1/s1 |
| InChI Key | ZKFWEINMPAYZON-YRYYUTHUSA-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) | 60.70 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.20% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.82% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.06% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.19% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.79% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.98% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.93% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.04% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.95% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.12% | 90.17% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 81.86% | 97.34% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.44% | 82.69% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.10% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.09% | 95.93% |
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 lasiantha |
| PubChem | 162854464 |
| LOTUS | LTS0223724 |
| wikiData | Q105378431 |