2-[1-(hydroxymethyl)-6,6-dimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-1-ol
| Internal ID | a967342b-3370-4c0c-af36-a3eb2dcccaa5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[1-(hydroxymethyl)-6,6-dimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-1-ol |
| SMILES (Canonical) | CC(=C1CC(CC2C1CCC2CO)(C)C)CO |
| SMILES (Isomeric) | CC(=C1CC(CC2C1CCC2CO)(C)C)CO |
| InChI | InChI=1S/C15H26O2/c1-10(8-16)13-6-15(2,3)7-14-11(9-17)4-5-12(13)14/h11-12,14,16-17H,4-9H2,1-3H3 |
| InChI Key | WPLVJXWIOYJHTM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-[1-(hydroxymethyl)-6,6-dimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-hydroxymethyl-66-dimethyl-233a577a-hexahydro-1h-inden-4-ylidenepropan-1-ol.jpg "2D Structure of 2-[1-(hydroxymethyl)-6,6-dimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.24% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.04% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.00% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.31% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.12% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
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 | 163064395 |
| LOTUS | LTS0054891 |
| wikiData | Q104200494 |