2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
| Internal ID | 1e012a49-a5ef-4bda-b977-e330cb2c57ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3 |
| InChI Key | XKBZJGQFALBSTF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H58O |
| Molecular Weight | 494.80 g/mol |
| Exact Mass | 494.448766469 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/470bab90-86cf-11ee-be28-5fe4c8921440.jpg "2D Structure of 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-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 | 97.94% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.45% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.58% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.31% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.94% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.21% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.13% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.49% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.89% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.74% | 93.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.60% | 95.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.76% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.62% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.26% | 92.97% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.85% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.71% | 96.90% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.33% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.18% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.18% | 92.50% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 46866570 |
| LOTUS | LTS0119912 |
| wikiData | Q104201063 |