Marikarin
| Internal ID | c2117c67-f021-4c9d-a317-533499f9a750 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (2S,10R,11R)-2,4-dihydroxy-6-methoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3,5,7,18-pentaen-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26N2O6/c1-36-19-12-10-18(11-13-19)30-25(17-7-4-3-5-8-17)24-27(31-23-9-6-14-32(23)28(24)34)29(30,35)26-21(33)15-20(37-2)16-22(26)38-30/h3-5,7-8,10-13,15-16,25,33,35H,6,9,14H2,1-2H3/t25-,29+,30+/m1/s1 |
| InChI Key | KTFBOLLZQNMGNM-CPESWEKQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26N2O6 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.17908655 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.30 |
| (-)-(6R,6aR,11bS)-11,11b-Dihydroxy-9-methoxy-6a-(4-methoxyphenyl)-6-phenyl-2,3,5,6,6a,11b-hexahydro-1H-benzo[4",5"]furo[2",3":4",5"]cyclopenta[1',2'-d]pyrrolo[1,2-a]pyrimidin-5-one |
| 7H-benzofuro[2',3':4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-7-one, 5a,6,9,10,11,12b-hexahydro-1,12b-dihydroxy-3-methoxy-5a-(4-methoxyphenyl)-6-phenyl-, (5aR,6R,12bS)- |
| InChI=1/C30H26N2O6/c1-36-19-12-10-18(11-13-19)30-25(17-7-4-3-5-8-17)24-27(31-23-9-6-14-32(23)28(24)34)29(30,35)26-21(33)15-20(37-2)16-22(26)38-30/h3-5,7-8,10-13,15-16,25,33,35H,6,9,14H2,1-2H3/t25-,29+,30+/m1/s |
| rel-(5aR,6R,12bS)-1,12b-dihydroxy-3-methoxy-5a-(4-methoxyphenyl)-6-phenyl-5a,6,9,10,11,12b-hexahydro-7H-[1]benzofuro[2',3':4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.19% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.60% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.59% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.06% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.86% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.22% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.03% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.94% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.18% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.79% | 90.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.65% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.97% | 95.89% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.01% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.11% | 96.39% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.37% | 94.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.94% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.69% | 95.50% |
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.
| Aglaia gracilis |
| PubChem | 636971 |
| LOTUS | LTS0226348 |
| wikiData | Q105145760 |