10-Hydroxy-9-(6-hydroxy-6-methylhept-4-en-2-yl)-4,4,6b,10,11b-pentamethyl-1,2,4a,5,6,7,8,9,10a,11-decahydrobenzo[a]fluoren-3-one
| Internal ID | d241496a-4974-452a-8153-5a89ffbaa6dc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 10-hydroxy-9-(6-hydroxy-6-methylhept-4-en-2-yl)-4,4,6b,10,11b-pentamethyl-1,2,4a,5,6,7,8,9,10a,11-decahydrobenzo[a]fluoren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O3/c1-19(10-9-15-26(2,3)32)20-13-16-28(6)21-11-12-23-27(4,5)25(31)14-17-29(23,7)22(21)18-24(28)30(20,8)33/h9,15,19-20,23-24,32-33H,10-14,16-18H2,1-8H3 |
| InChI Key | IVRJCWCKWZAWNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-9-(6-hydroxy-6-methylhept-4-en-2-yl)-4,4,6b,10,11b-pentamethyl-1,2,4a,5,6,7,8,9,10a,11-decahydrobenzo[a]fluoren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/f1fb0a80-85fa-11ee-8480-c1f4ae2d8d91.jpg "2D Structure of 10-Hydroxy-9-(6-hydroxy-6-methylhept-4-en-2-yl)-4,4,6b,10,11b-pentamethyl-1,2,4a,5,6,7,8,9,10a,11-decahydrobenzo[a]fluoren-3-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 | 97.16% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.79% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.75% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.19% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.10% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 85.58% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.29% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.11% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.18% | 93.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.97% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.92% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.60% | 97.79% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.37% | 92.88% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.45% | 90.08% |
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 | 162816249 |
| LOTUS | LTS0133117 |
| wikiData | Q104169175 |