[10-formyl-9a-hydroxy-3a,5b-dimethyl-3-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluoren-8-yl] acetate
| Internal ID | e2217773-38b7-472b-a844-26c76851717f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [10-formyl-9a-hydroxy-3a,5b-dimethyl-3-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluoren-8-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50O4/c1-8-22(19(2)3)10-9-20(4)24-11-12-25-28-26(14-15-29(24,25)6)30(7)16-13-23(35-21(5)33)17-31(30,34)27(28)18-32/h8,18-20,23-28,34H,9-17H2,1-7H3 |
| InChI Key | JRDSIXZVXZHOAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of [10-formyl-9a-hydroxy-3a,5b-dimethyl-3-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluoren-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d14225e0-8280-11ee-a4e6-ed061420db96.jpg "2D Structure of [10-formyl-9a-hydroxy-3a,5b-dimethyl-3-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluoren-8-yl] acetate")
| 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 | 99.27% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.88% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.25% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.91% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 94.40% | 89.76% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.30% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.70% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.36% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.99% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.61% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.26% | 91.19% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.20% | 89.05% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.88% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.29% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.05% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.70% | 94.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.45% | 97.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.92% | 98.05% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.91% | 96.61% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.59% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.81% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.35% | 96.47% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.12% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.95% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.87% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.86% | 99.35% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.78% | 95.93% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.45% | 85.31% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.28% | 94.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.68% | 89.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.20% | 98.10% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.94% | 96.77% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.92% | 92.98% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.21% | 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 | 163032465 |
| LOTUS | LTS0220717 |
| wikiData | Q105133858 |