Pierreione A
Internal ID | 1ab08bf8-1d9d-4f31-8b68-9d04b305c7e8 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
IUPAC Name | 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC(=C(C=C4)OCC(C(C)(C)O)O)OC)C |
SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC(=C(C=C4)OC[C@H](C(C)(C)O)O)OC)C |
InChI | InChI=1S/C27H30O8/c1-26(2)10-9-16-19(35-26)12-21-23(25(16)32-6)24(29)17(13-33-21)15-7-8-18(20(11-15)31-5)34-14-22(28)27(3,4)30/h7-13,22,28,30H,14H2,1-6H3/t22-/m1/s1 |
InChI Key | XYVIHRJUIIUQSN-JOCHJYFZSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C27H30O8 |
Molecular Weight | 482.50 g/mol |
Exact Mass | 482.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 104.00 Ų |
XlogP | 3.30 |
CHEBI:68047 |
CHEMBL1773672 |
DTXSID601104744 |
Q27136543 |
1292766-20-1 |
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-5-methoxy-2,2-dimethyl- |
3',5-dimethoxy-4'-(2R,3-dihydroxy-3-methylbutoxyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone |
7-(4-{[(2R)-2,3-dihydroxy-3-methylbutyl]oxy}-3-methoxyphenyl)-5-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one |
![2D Structure of Pierreione A 2D Structure of Pierreione A](https://plantaedb.com/storage/docs/compounds/2023/11/pierreione-a.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 |
---|---|---|---|---|
CHEMBL4302 | P08183 | P-glycoprotein 1 | 99.44% | 92.98% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.05% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.09% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.59% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
CHEMBL5747 | Q92793 | CREB-binding protein | 94.26% | 95.12% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.09% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.06% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.90% | 99.17% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.30% | 95.56% |
CHEMBL1907 | P15144 | Aminopeptidase N | 88.15% | 93.31% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.03% | 94.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.03% | 97.14% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.03% | 95.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.67% | 95.78% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.58% | 90.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.32% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.58% | 95.56% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.32% | 100.00% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.49% | 95.53% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.13% | 89.50% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.91% | 96.67% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.86% | 83.82% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.51% | 96.77% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.81% | 92.62% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.03% | 96.00% |
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.
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Antheroporum pierrei |
PubChem | 52951513 |
LOTUS | LTS0214226 |
wikiData | Q27136543 |