8-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Internal ID | 66f5f8bc-3cb2-4705-ba71-c85f13424a28 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
IUPAC Name | 8-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
SMILES (Canonical) | CC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(O2)C(=C4C(=C3O)C=CC(O4)(C)C)CC=C(C)C)C |
SMILES (Isomeric) | CC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(O2)C(=C4C(=C3O)C=CC(O4)(C)C)CC=C(C)C)C |
InChI | InChI=1S/C30H34O6/c1-16(2)7-9-18-13-21(23(32)14-22(18)31)25-15-24(33)26-27(34)19-11-12-30(5,6)36-28(19)20(29(26)35-25)10-8-17(3)4/h7-8,11-14,25,31-32,34H,9-10,15H2,1-6H3 |
InChI Key | OIPOSHZATNADRS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H34O6 |
Molecular Weight | 490.60 g/mol |
Exact Mass | 490.23553880 g/mol |
Topological Polar Surface Area (TPSA) | 96.20 Ų |
XlogP | 7.20 |
There are no found synonyms. |
![2D Structure of 8-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one 2D Structure of 8-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/e2379610-86b5-11ee-8ec0-f91bd03e8611.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 | 99.82% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.54% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.30% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 96.22% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.27% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 88.66% | 91.49% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.66% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.34% | 86.33% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.18% | 89.34% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.57% | 80.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.49% | 94.73% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.79% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.49% | 92.62% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.21% | 91.07% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.95% | 90.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.41% | 99.23% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.97% | 95.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.86% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.26% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.06% | 99.15% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.05% | 89.50% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.83% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.79% | 90.17% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.33% | 99.17% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.11% | 91.03% |
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.
Flemingia macrophylla |
PubChem | 162891404 |
LOTUS | LTS0103886 |
wikiData | Q105192660 |