Perovskone B
| Internal ID | 4045dd59-ddf1-4383-bbf7-6c41b27f26d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (1R,4R,9R,11R,12S,16S,18R)-5,5,15,15,19-pentamethyl-23-propan-2-yl-14,24-dioxaheptacyclo[11.8.2.19,12.01,11.04,9.011,18.012,16]tetracosa-13(23),19-diene-21,22-dione |
| SMILES (Canonical) | CC1=CC(=O)C23CCC4C(CCCC45CC26C1CC7C6(O5)C(=C(C3=O)C(C)C)OC7(C)C)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)[C@@]23CC[C@H]4[C@@]5(CCCC4(C)C)C[C@@]26[C@@H]1C[C@@H]7[C@@]6(O5)C(=C(C3=O)C(C)C)OC7(C)C |
| InChI | InChI=1S/C30H40O4/c1-16(2)22-23(32)28-12-9-19-25(4,5)10-8-11-27(19)15-29(28)18(17(3)13-21(28)31)14-20-26(6,7)33-24(22)30(20,29)34-27/h13,16,18-20H,8-12,14-15H2,1-7H3/t18-,19-,20+,27-,28-,29-,30-/m1/s1 |
| InChI Key | HBIBHELUGMKMMU-GHDDMMGFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H40O4 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.60 |
| CHEBI:69691 |
| Q27138033 |
| 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 | 99.02% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.04% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.16% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.89% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.42% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.56% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.92% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.55% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.46% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.44% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.26% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.43% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.09% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.42% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.66% | 93.04% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.33% | 90.17% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.93% | 86.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.11% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.03% | 93.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.60% | 92.97% |
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.
| Salvia hydrangea |
| PubChem | 70698061 |
| LOTUS | LTS0096423 |
| wikiData | Q27138033 |