(5aS,9aS,10aR)-5a-(hydroxymethyl)-10a-methyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulen-9a-ol
| Internal ID | 9bb1cd71-d677-4ae0-a8a3-da9a7e8d6a2f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (5aS,9aS,10aR)-5a-(hydroxymethyl)-10a-methyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulen-9a-ol |
| SMILES (Canonical) | CC(C)C1=C2CCC3(CCCC(=C)C3(CC2(CC1)C)O)CO |
| SMILES (Isomeric) | CC(C)C1=C2CC[C@@]3(CCCC(=C)[C@]3(C[C@]2(CC1)C)O)CO |
| InChI | InChI=1S/C20H32O2/c1-14(2)16-7-10-18(4)12-20(22)15(3)6-5-9-19(20,13-21)11-8-17(16)18/h14,21-22H,3,5-13H2,1-2,4H3/t18-,19+,20+/m1/s1 |
| InChI Key | DHEZTMUSONWKMZ-AABGKKOBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (5aS,9aS,10aR)-5a-(hydroxymethyl)-10a-methyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulen-9a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/53970210-86b3-11ee-bbee-bb85c74b529e.jpg "2D Structure of (5aS,9aS,10aR)-5a-(hydroxymethyl)-10a-methyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulen-9a-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 | 97.57% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.78% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.68% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.27% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.64% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.49% | 98.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.03% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.61% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.67% | 97.93% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.23% | 87.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.95% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.59% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.48% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.11% | 91.07% |
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 | 14890514 |
| LOTUS | LTS0165134 |
| wikiData | Q104979959 |