(6S)-3,5-dihydroxy-6-methoxy-4,6-bis(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
| Internal ID | b66cbbcd-abd6-4d49-93a9-2f493a346cb1 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | (6S)-3,5-dihydroxy-6-methoxy-4,6-bis(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C([C@](C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)OC)O)C |
| InChI | InChI=1S/C26H32O5/c1-17(2)11-13-20-23(28)22(21(27)14-12-19-9-7-6-8-10-19)25(30)26(31-5,24(20)29)16-15-18(3)4/h6-11,15,28-29H,12-14,16H2,1-5H3/t26-/m0/s1 |
| InChI Key | IRPIRROHIISGKY-SANMLTNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
| 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 | 97.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.95% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.69% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.61% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.11% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.25% | 95.50% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.72% | 92.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.27% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.25% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.28% | 94.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.08% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.95% | 85.14% |
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.
| Helichrysum cymosum |
| Metalasia cymbifolia |
| PubChem | 163039081 |
| LOTUS | LTS0210091 |
| wikiData | Q105119017 |