(5aR,12S)-1,3,4,7,8,10-hexamethoxy-5a-phenyl-12-(2-phenylethenyl)-12H-chromeno[2,3-b]chromene
| Internal ID | 11772151-e5f7-47d6-85e1-317a7946566b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | (5aR,12S)-1,3,4,7,8,10-hexamethoxy-5a-phenyl-12-(2-phenylethenyl)-12H-chromeno[2,3-b]chromene |
| SMILES (Canonical) | COC1=CC(=C(C2=C1C=C3C(C4=C(C(=C(C=C4OC)OC)OC)OC3(O2)C5=CC=CC=C5)C=CC6=CC=CC=C6)OC)OC |
| SMILES (Isomeric) | COC1=CC(=C(C2=C1C=C3[C@H](C4=C(C(=C(C=C4OC)OC)OC)O[C@]3(O2)C5=CC=CC=C5)C=CC6=CC=CC=C6)OC)OC |
| InChI | InChI=1S/C36H34O8/c1-37-27-20-29(39-3)33(41-5)32-25(27)19-26-24(18-17-22-13-9-7-10-14-22)31-28(38-2)21-30(40-4)34(42-6)35(31)44-36(26,43-32)23-15-11-8-12-16-23/h7-21,24H,1-6H3/t24-,36-/m1/s1 |
| InChI Key | PIRSHIRYPZZVSO-GPJMPKJXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H34O8 |
| Molecular Weight | 594.60 g/mol |
| Exact Mass | 594.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (5aR,12S)-1,3,4,7,8,10-hexamethoxy-5a-phenyl-12-(2-phenylethenyl)-12H-chromeno[2,3-b]chromene](https://plantaedb.com/storage/docs/compounds/2023/11/5ar12s-1347810-hexamethoxy-5a-phenyl-12-2-phenylethenyl-12h-chromeno23-bchromene.jpg "2D Structure of (5aR,12S)-1,3,4,7,8,10-hexamethoxy-5a-phenyl-12-(2-phenylethenyl)-12H-chromeno[2,3-b]chromene")
| 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 | 97.77% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.99% | 93.99% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 96.62% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.36% | 86.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 93.99% | 89.44% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.74% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.27% | 94.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.58% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.99% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.24% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.94% | 90.24% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.92% | 85.49% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.06% | 94.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.91% | 85.14% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.33% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.19% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.32% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.09% | 94.03% |
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.
| Uvaria welwitschii |
| PubChem | 162867174 |
| LOTUS | LTS0120894 |
| wikiData | Q105209677 |