Homoedudiol
Internal ID | c7ce3dff-da3d-46bb-aa9d-c3005d811f2a |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
IUPAC Name | (6aR,11aR)-8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OC3C2COC4=C3C=CC(=C4)O)C |
SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)C |
InChI | InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1 |
InChI Key | AZLNYSCXKUKIRV-JXFKEZNVSA-N |
Popularity | 2 references in papers |
Molecular Formula | C20H20O4 |
Molecular Weight | 324.40 g/mol |
Exact Mass | 324.13615911 g/mol |
Topological Polar Surface Area (TPSA) | 58.90 Ų |
XlogP | 4.20 |
Sophorapterocarpan A |
Erythracantha B |
DUN1JP1MPF |
UNII-DUN1JP1MPF |
CHEMBL1088321 |
6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-8-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- |
6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-8-(3-methyl-2-butenyl)-, (6ar-cis)- |
77369-92-7 |
BDBM50311584 |
Q27276618 |
![2D Structure of Homoedudiol 2D Structure of Homoedudiol](https://plantaedb.com/storage/docs/compounds/2023/07/homoedudiol.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 | 99.06% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.67% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.92% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.89% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.56% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.18% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.02% | 94.45% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.60% | 93.10% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.21% | 95.56% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.17% | 95.93% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.71% | 94.80% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.07% | 83.82% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.03% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.14% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.72% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.16% | 89.62% |
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.
Calopogonium mucunoides |
Erythrina abyssinica |
Erythrina abyssinica |
Erythrina poeppigiana |
Sophora franchetiana |
PubChem | 14017299 |
NPASS | NPC150011 |
ChEMBL | CHEMBL1088321 |
LOTUS | LTS0042664 |
wikiData | Q27276618 |