(3R,3aR,5aS,9aR,10aS)-3-hydroxy-5a,9,10a-trimethyl-3-propan-2-yl-1,2,3a,4,5,9a-hexahydrobenzo[f]azulen-10-one
| Internal ID | 808764be-76b8-4947-9513-ecdfa554c34f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3R,3aR,5aS,9aR,10aS)-3-hydroxy-5a,9,10a-trimethyl-3-propan-2-yl-1,2,3a,4,5,9a-hexahydrobenzo[f]azulen-10-one |
| SMILES (Canonical) | CC1=CC=CC2(C1C(=O)C3(CCC(C3CC2)(C(C)C)O)C)C |
| SMILES (Isomeric) | CC1=CC=C[C@]2([C@@H]1C(=O)[C@]3(CC[C@]([C@@H]3CC2)(C(C)C)O)C)C |
| InChI | InChI=1S/C20H30O2/c1-13(2)20(22)12-11-19(5)15(20)8-10-18(4)9-6-7-14(3)16(18)17(19)21/h6-7,9,13,15-16,22H,8,10-12H2,1-5H3/t15-,16+,18-,19+,20-/m1/s1 |
| InChI Key | XCZDELNYRRPFNI-LWASTNQWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (3R,3aR,5aS,9aR,10aS)-3-hydroxy-5a,9,10a-trimethyl-3-propan-2-yl-1,2,3a,4,5,9a-hexahydrobenzo[f]azulen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/13670300-854c-11ee-9715-f73456f48bd0.jpg "2D Structure of (3R,3aR,5aS,9aR,10aS)-3-hydroxy-5a,9,10a-trimethyl-3-propan-2-yl-1,2,3a,4,5,9a-hexahydrobenzo[f]azulen-10-one")
| 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 | 96.39% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.04% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.01% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.21% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.47% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.48% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.12% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.66% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.74% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.53% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.05% | 93.03% |
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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| There are no matching plants. |
| PubChem | 101606515 |
| LOTUS | LTS0078932 |
| wikiData | Q105325569 |