beta-Anhydroicaritin

Details

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Internal ID 87e22dd3-b145-4fdc-b172-ef2173beb2e5
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones
IUPAC Name 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
SMILES (Canonical) CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
SMILES (Isomeric) CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
InChI InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
InChI Key PPCHTBBOSVKORE-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C21H20O6
Molecular Weight 368.40 g/mol
Exact Mass 368.12598835 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 4.20

Synonyms

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38226-86-7
CHEMBL497654
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
SCHEMBL4220888
DTXSID801316333
HY-N1940
BDBM50272557
AKOS030573400
AC-34806
AS-75851
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of beta-Anhydroicaritin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.91% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 97.01% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.78% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.19% 95.56%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 95.04% 85.30%
CHEMBL2581 P07339 Cathepsin D 94.31% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.81% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.38% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.44% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.43% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.09% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.91% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.65% 99.23%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.67% 92.62%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.62% 93.40%
CHEMBL4208 P20618 Proteasome component C5 83.95% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.92% 95.50%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 82.78% 96.77%
CHEMBL1929 P47989 Xanthine dehydrogenase 82.27% 96.12%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 82.22% 95.64%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.06% 94.42%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 81.02% 95.53%

Plants that contains it

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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.
Epimedium brevicornu

Cross-Links

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PubChem 14583584
LOTUS LTS0159760
wikiData Q105212814