General Information of the Compound
| Compound ID |
CP0036992
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| Compound Name |
2H-chromen-2-one
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| Synonyms |
1,2-Benzopyrone
2-Oxo-1,2-benzopyran
2H-1-Benzopyran, 2-oxo-
2H-1-Benzopyran-2-one
2H-Benzo(b)pyran-2-one
2H-Benzo[b]pyran-2-one
2H-Chromen-2-one
5,6-Benzo-2-pyrone
5,6-Benzo-alpha-pyrone
91-64-5
Benzo-a-pyrone
Benzo-alpha-pyrone
COUMARIN
Caswell No. 259C
Coumarine
Coumarinic anhydride
Coumarinic lactone
Kumarin
Kumarin [Czech]
Rattex
Tonka bean camphor
chromen-2-one
cis-o-Coumarinic acid lactone
coumarin
cumarin
o-Coumaric acid lactone
o-Hydroxycinnamic acid lactone
o-Hydroxycinnamic lactone
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| Structure |
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| Formula |
C9H6O2
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| Molecular Weight |
146.145
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| Canonical SMILES |
O=c1ccc2ccccc2o1
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| InChI |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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| InChIKey |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
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| CAS |
91-64-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( COUMARIN )
| Drug Name | COUMARIN | ||
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