erythraddison II

Details

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Internal ID 5b61516b-2b47-4702-a20a-81befaad457f
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
IUPAC Name 3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
SMILES (Canonical) CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)C3=C(C=C(C=C3)O)O)C
SMILES (Isomeric) CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)C3=C(C=C(C=C3)O)O)C
InChI InChI=1S/C25H26O5/c1-14(2)5-7-16-11-20-24(29)21(18-10-8-17(26)12-22(18)27)13-30-25(20)19(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
InChI Key DPJZYONMQLGZJE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C25H26O5
Molecular Weight 406.50 g/mol
Exact Mass 406.17802393 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 6.00

Synonyms

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erythraddison II
BDBM50394208
3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one

2D Structure

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2D Structure of erythraddison II

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 99.59% 91.11%
CHEMBL2581 P07339 Cathepsin D 99.20% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 97.45% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 95.21% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.94% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.35% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.84% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.02% 99.17%
CHEMBL4208 P20618 Proteasome component C5 83.52% 90.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 82.35% 97.28%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.26% 94.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 80.10% 96.12%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.05% 99.23%

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.
Erythrina addisoniae

Cross-Links

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PubChem 38361391
LOTUS LTS0167168
wikiData Q104986543