(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Internal ID | d018f8d6-eae6-4fc0-98e1-330de985b754 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
IUPAC Name | (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol |
SMILES (Canonical) | CC(C)(CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)OC)O |
SMILES (Isomeric) | CC(C)(CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)OC)O |
InChI | InChI=1S/C21H24O5/c1-21(2,23)9-8-15-17(24-3)7-6-13-16-11-25-18-10-12(22)4-5-14(18)20(16)26-19(13)15/h4-7,10,16,20,22-23H,8-9,11H2,1-3H3/t16-,20-/m0/s1 |
InChI Key | QSWBCPQDDKJHGF-JXFKEZNVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H24O5 |
Molecular Weight | 356.40 g/mol |
Exact Mass | 356.16237386 g/mol |
Topological Polar Surface Area (TPSA) | 68.20 Ų |
XlogP | 3.20 |
There are no found synonyms. |
![2D Structure of (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol 2D Structure of (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6ar11ar-10-3-hydroxy-3-methylbutyl-9-methoxy-6a11a-dihydro-6h-1benzofuro32-cchromen-3-ol.jpg)
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 | 96.65% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.07% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.83% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.51% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.74% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.68% | 89.62% |
CHEMBL2535 | P11166 | Glucose transporter | 89.20% | 98.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.14% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.66% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.85% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.32% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.32% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.81% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.40% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.16% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.03% | 86.92% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.39% | 89.00% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.18% | 97.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.09% | 92.62% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.42% | 96.95% |
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.
Erythrina fusca |
PubChem | 11462431 |
LOTUS | LTS0260630 |
wikiData | Q105227439 |