7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dihydroxy-

Details

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Internal ID f6163d1b-2b51-4834-8c2c-684efda06cad
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 8-hydroxypsoralens
IUPAC Name 4,9-dihydroxyfuro[3,2-g]chromen-7-one
SMILES (Canonical) C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O
SMILES (Isomeric) C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O
InChI InChI=1S/C11H6O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4,13-14H
InChI Key DZEPISXWRUMGFN-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H6O5
Molecular Weight 218.16 g/mol
Exact Mass 218.02152329 g/mol
Topological Polar Surface Area (TPSA) 79.90 Ų
XlogP 1.60

Synonyms

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14348-23-3
7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dihydroxy-
4,9-dihydroxyfuro[3,2-g]chromen-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dihydroxy-
CHEMBL1934068
4,9-Dihydroxy-7H-furo[3,2-g]chromen-7-one
5?8-Dihydroxypsoralen
5,8-Dihydroxyfurocoumarin
Psoralen, 5,8-dihydroxy-
4,9-Dihydroxy-7H-furp(3,2-g)(1)benzopyran-7-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dihydroxy-

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 97.63% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 92.49% 91.49%
CHEMBL2581 P07339 Cathepsin D 90.09% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.80% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.03% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.28% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.27% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.10% 94.00%

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.
Cnidium monnieri

Cross-Links

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PubChem 5376215
LOTUS LTS0095944
wikiData Q72466996