(-)-Mulberrofuran J
Internal ID | 439b53f7-b9dd-4a8e-8626-f115aea935d0 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | [(1S,2S,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone |
SMILES (Canonical) | CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O |
SMILES (Isomeric) | CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O |
InChI | InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25-,32-/m0/s1 |
InChI Key | WTGKDESIYCVAOP-CAHKVJEUSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C34H28O9 |
Molecular Weight | 580.60 g/mol |
Exact Mass | 580.17333247 g/mol |
Topological Polar Surface Area (TPSA) | 172.00 Ų |
XlogP | 6.00 |
Mulberrofuran J |
CHEMBL505416 |
SCHEMBL2790661 |
DTXSID101315603 |
90989-33-6 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.98% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.55% | 85.14% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.53% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.62% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.55% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.79% | 94.00% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.51% | 85.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.78% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.18% | 99.15% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.57% | 93.56% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 84.86% | 95.62% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.17% | 96.95% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.15% | 91.38% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.41% | 85.00% |
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.
Morus alba |
Morus nigra |
PubChem | 10483339 |
LOTUS | LTS0203736 |
wikiData | Q105312516 |