(1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-1-ol
| Internal ID | f7c749e8-a3ef-418b-9b0e-ff7c52c2645c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-1-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2(CCC(C)(C=C)O)O)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CCC(=C)[C@@]2(CC[C@@](C)(C=C)O)O)(C)C |
| InChI | InChI=1S/C20H34O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,16,21-22H,1-2,8-14H2,3-6H3/t16-,18+,19-,20+/m0/s1 |
| InChI Key | MDXMTLDJBBCSFD-OJAHFUOMSA-N |
| Popularity | 0 references 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 | 4.50 |
| There are no found synonyms. |
![2D Structure of (1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b1bf33c0-857e-11ee-8c5b-919c19ca527d.jpg "2D Structure of (1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-1-ol")
| 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 | 97.05% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.48% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.48% | 94.75% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 92.14% | 99.43% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 91.05% | 90.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.93% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.92% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.65% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.73% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.81% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.50% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.85% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.79% | 97.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.48% | 91.03% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.36% | 99.29% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.27% | 95.58% |
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.
| Jungermannia truncata |
| PubChem | 101701454 |
| LOTUS | LTS0057936 |
| wikiData | Q105162019 |