Phyllostictone C
| Internal ID | ad9e22d0-ed2e-4043-b601-b3036be32809 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (1R,4R,7R,8S,12S)-1-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O5/c1-9(7-18)10-3-4-16(2)12(10)5-11-14(19)13-6-17(20,8-21-13)15(11)22-16/h10,12-13,18,20H,1,3-8H2,2H3/t10-,12-,13-,16+,17+/m0/s1 |
| InChI Key | RPWIWHCGLHASSD-AWKHGQQRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 0.40 |
| (1R,4R,7R,8S,12S)-1-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one |
| (1R,4R,7R,8S,12S)-1-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,13-dioxatetracyclo(10.2.1.02,10.04,8)pentadec-2(10)-en-11-one |
| RefChem:174056 |
| CHEBI:226787 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.72% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.90% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 87.24% | 96.01% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.61% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.92% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.86% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.93% | 90.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.69% | 92.98% |
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.
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| There are no matching plants. |
| PubChem | 146682236 |
| LOTUS | LTS0079559 |
| wikiData | Q105243085 |