Basic information
- CAS
19013-03-7- Standard SMILES
CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2- InChIKey
SVUVYHFYZBCYRF-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Overview
Eupatoriochromene is a 1-benzopyran.
Names & identifiers
- Preferred name
- Eupatoriochromene
- IUPAC
- 1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone
- English name
- Eupatoriochromene
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
Eupatoriochromene19013-03-7Desmethylencecalin1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanoneO9Y1UY34HCNSC-3637891-(7-hydroxy-2,2-dimethyl-chromen-6-yl)ethanoneRefChem:1085263DEMETHYLENCECALINEthanone, 1-(7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone1-(7-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
Show more names
Des-O-methylencecalin6-Acetyl-7-hydroxy-2,2-dimethyl-2H-1-benzopyran1-(2,2-Dimethyl-7-hydroxy-α-chromene-6-yl)ethanoneEthanone,1-(7-hydroxy-2,2-dimethyl-2H-1- benzopyran-6-yl)-Methyl(2,2-dimethyl-7-hydroxy-2H-1-benzopyran-6-yl) ketone
7-demethylencecalinNSC 363789Spectrum_0006706-acetyl-7-hydroxy-2,2-dimethylchromeneSpecPlus_000198Spectrum2_000671Spectrum3_001246Spectrum4_001452
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 366.7 · 366.7±42.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- form
- Off-white to yellowish solid.
- pka
- 9.92 · 9.92±0.40(Predicted)
- LogP
- 4.15 · 4.150 (est)
- FDA UNII
- 9 Y1UY34HC · O9Y1UY34HC
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H361-H370-H372
- Precautionary statements
- 501 · P501-P260-P270-P202-P201-P264-P280-P308+P311-P301+P312+P330-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H361-H370-H372
- Precautionary statements
- P501-P260-P270-P202-P201-P264-P280-P308+P311-P301+P312+P330-P405
Chemistry & industry
Applications
UsesEupatoriochromene is a chromene and has inhibitory activity against xanthine oxidase (XO)[1][2].
Suppliers51 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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