(6aS,12aS)-11-hydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
| Internal ID | bde043b4-9d8c-48bc-8bce-c204d6b8bcb6 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6aS,12aS)-11-hydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3COC4=CC(=C(C=C4C3C2=O)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)O[C@@H]3COC4=CC(=C(C=C4[C@@H]3C2=O)OC)OC)O |
| InChI | InChI=1S/C19H18O7/c1-22-9-4-11(20)18-15(5-9)26-16-8-25-12-7-14(24-3)13(23-2)6-10(12)17(16)19(18)21/h4-7,16-17,20H,8H2,1-3H3/t16-,17+/m1/s1 |
| InChI Key | BCRQIJDETOPQBA-SJORKVTESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (6aS,12aS)-11-hydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/6as12as-11-hydroxy-239-trimethoxy-6a12a-dihydro-6h-chromeno34-bchromen-12-one.jpg "2D Structure of (6aS,12aS)-11-hydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-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 | 97.75% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.58% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.76% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.31% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.18% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.74% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.51% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.45% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.12% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.95% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.70% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.55% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.33% | 93.40% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.23% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.00% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.01% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.68% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.94% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.65% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.57% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.41% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.72% | 97.14% |
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.
| Millettia brandisiana |
| PubChem | 137646096 |
| LOTUS | LTS0186837 |
| wikiData | Q104923604 |