(1S,3S,6R,11R,12S,15S,16R,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosan-8-one
| Internal ID | 135f1bd1-f236-41c2-9bcb-11bd4040286c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3S,6R,11R,12S,15S,16R,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosan-8-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3C2CCC4C(C3)(CCC5C4(CCC(=O)C5(C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4[C@H](C2)CC[C@@H]5[C@@]4(CCCC5(C)C)C)(CCC(=O)C3(C)C)C |
| InChI | InChI=1S/C30H50O/c1-26(2)15-8-16-29(6)21-10-12-24-28(5,19-20(21)9-11-22(26)29)17-13-23-27(3,4)25(31)14-18-30(23,24)7/h20-24H,8-19H2,1-7H3/t20-,21-,22-,23-,24-,28-,29+,30-/m0/s1 |
| InChI Key | QLOZOEFSBNKTES-WACDYUABSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
![2D Structure of (1S,3S,6R,11R,12S,15S,16R,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/d93dcf10-81c2-11ee-a314-a53b738b4b4d.jpg "2D Structure of (1S,3S,6R,11R,12S,15S,16R,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosan-8-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.92% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.96% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.30% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.67% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.11% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.10% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.95% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.27% | 85.30% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.78% | 95.38% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.54% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.71% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.42% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.31% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.25% | 95.89% |
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.
| Ficus benjamina |
| PubChem | 162905337 |
| LOTUS | LTS0203075 |
| wikiData | Q105223696 |