Fulvinervin A

Details

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Internal ID 33b50570-7eb6-4d59-9f61-24e56eec856d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
IUPAC Name 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H26O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-10,12-13,20,27H,11,14H2,1-4H3
InChI Key YXRQIKPQCNDPMB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H26O4
Molecular Weight 390.50 g/mol
Exact Mass 390.18310931 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 6.00

Synonyms

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5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano(2,3-h)chromen-4-one
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
RefChem:141632
99877-71-1
LMPK12140207

2D Structure

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2D Structure of Fulvinervin A

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 99.71% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 97.71% 90.17%
CHEMBL2581 P07339 Cathepsin D 95.94% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.19% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.18% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.49% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.57% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.52% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.17% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.82% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 86.46% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.53% 97.09%
CHEMBL3401 O75469 Pregnane X receptor 82.33% 94.73%
CHEMBL5028 O14672 ADAM10 80.89% 97.50%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 80.24% 80.00%

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.
Tephrosia fulvinervis
Tephrosia spinosa

Cross-Links

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PubChem 42607884
LOTUS LTS0089145
wikiData Q104402040