(6aR,12R,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol
| Internal ID | 512286ef-d922-40fe-9353-c030a31b2cce |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids |
| IUPAC Name | (6aR,12R,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3(C(CO2)OC4=C(C3C5=C(C=CC(=C5)C6CC7=C(C=C(C=C7)O)OC6)OC)C=CC(=C4)O)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)[C@]3([C@@H](CO2)OC4=C([C@@H]3C5=C(C=CC(=C5)[C@H]6CC7=C(C=C(C=C7)O)OC6)OC)C=CC(=C4)O)O |
| InChI | InChI=1S/C33H30O8/c1-37-23-7-9-26-30(15-23)40-17-31-33(26,36)32(24-8-6-22(35)14-29(24)41-31)25-12-18(4-10-27(25)38-2)20-11-19-3-5-21(34)13-28(19)39-16-20/h3-10,12-15,20,31-32,34-36H,11,16-17H2,1-2H3/t20-,31+,32+,33+/m0/s1 |
| InChI Key | AAYNXSSLTTZFMB-ANNNZNAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H30O8 |
| Molecular Weight | 554.60 g/mol |
| Exact Mass | 554.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (6aR,12R,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1f03c5c0-86a5-11ee-957a-0901be09f92a.jpg "2D Structure of (6aR,12R,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol")
| 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 | 98.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.83% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 94.38% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.69% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.73% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.26% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.62% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.79% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.53% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.39% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.53% | 95.78% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 87.68% | 95.55% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.61% | 85.14% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.23% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.05% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.67% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.32% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.83% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.73% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.32% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.30% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.04% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.86% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.09% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.19% | 100.00% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.89% | 94.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.57% | 93.40% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.83% | 100.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.75% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.08% | 89.00% |
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.
| Gliricidia sepium |
| PubChem | 163045764 |
| LOTUS | LTS0128463 |
| wikiData | Q104908451 |