13-Episclareol
| Internal ID | 29c06a61-dd4f-4e3c-ae24-4660fb6056db |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CCC(C)(C=C)O)(C)O)(C)C |
| InChI | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18?,19-,20+/m0/s1 |
| InChI Key | XVULBTBTFGYVRC-SVPXJYONSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.90 |
| A1A2FI1KEJ |
| 4630-08-4 |
| (1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| (1R,2R,4AS,8AS)-1-[(3R)-3-HYDROXY-3-METHYL-4-PENTEN-1-YL]-2,5,5,8A-TETRAMETHYLDECAHYDRO-2-NAPHTHALENOL |
| EPISCLAREOL |
| ISOSCLAREOL |
| UNII-A1A2FI1KEJ |
| SCHEMBL15503382 |
| (13S)-Labd-14-ene-8,13-diol |
| AKOS040790448 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
158.5 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.46% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.19% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.04% | 94.75% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.00% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.77% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.20% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.74% | 97.93% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 87.27% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.24% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.04% | 90.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.72% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.68% | 95.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.61% | 92.94% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.45% | 92.98% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.93% | 97.05% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.17% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.97% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.26% | 98.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 83.18% | 94.01% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.05% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.03% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.17% | 91.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.84% | 91.07% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.51% | 99.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.52% | 100.00% |
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.
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| PubChem | 56842011 |
| LOTUS | LTS0173518 |
| wikiData | Q104251412 |