2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one

Details

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Internal ID d8bec60e-60cd-4f2b-8295-f212599685a0
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
IUPAC Name 9-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILES (Canonical) C1COC2=C1C=C3C=CC(=O)OC3=C2O
SMILES (Isomeric) C1COC2=C1C=C3C=CC(=O)OC3=C2O
InChI InChI=1S/C11H8O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-2,5,13H,3-4H2
InChI Key GWDMSCZQYHAETO-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H8O4
Molecular Weight 204.18 g/mol
Exact Mass 204.04225873 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 1.60

Synonyms

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2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
2,3-Dihydroxanthotoxol
9-Hydroxy-2H-furo[3,2-g]chromen-7(3H)-one
9-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
9-hydroxy-2,3-dihydro-7h-furo[3,2-g]chromen-7-one
7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy-
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-
EINECS 268-548-5
2,3-Dihydro-9-hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one
4',5'-Dihydro-8-Hydroxy Psoralen
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one

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 98.40% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 96.81% 83.82%
CHEMBL2581 P07339 Cathepsin D 90.32% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.47% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.95% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.94% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.93% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.74% 93.40%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.30% 90.71%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 83.19% 85.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.54% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.45% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.34% 86.33%

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.
Aegle marmelos

Cross-Links

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PubChem 106648
LOTUS LTS0093567
wikiData Q72466434