Persianinone
| Internal ID | 7d1b7dad-1024-4ee1-a38f-5d9f17bf783c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 4-[2-(furan-3-yl)ethyl]-2-[[4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O6/c1-25-29(12-11-27-14-21-44-23-27)38(7)18-9-16-36(3,4)34(38)30(41)32(25)46-33-26(2)40(43,20-13-28-15-22-45-24-28)39(8)19-10-17-37(5,6)35(39)31(33)42/h14-15,21-24,26,32-35,43H,9-13,16-20H2,1-8H3 |
| InChI Key | JGQYOTZPAZMNBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H56O6 |
| Molecular Weight | 632.90 g/mol |
| Exact Mass | 632.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 8.50 |
| Persianinone |
| NSC649283 |
| 170894-20-9 |
| 4-(2-(3-Furyl)ethyl)-2-((4-(2-(3-furyl)ethyl)-3,4a,8,8-tetramethyl-1-oxo-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenyl)oxy)-4-hydroxy-3,4a,8,8-tetramethyloctahydro-1(2H)-naphthalenone |
| 4-[2-(3-furyl)ethyl]-2-[4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-decalin-2-yl]oxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.64% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.02% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.12% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.24% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.05% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.01% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.43% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.36% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.72% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.66% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.04% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.45% | 89.00% |
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.
| Pseudodictamnus aucheri |
| PubChem | 495301 |
| LOTUS | LTS0083227 |
| wikiData | Q105127639 |