Basic information
- CAS
41680-09-5- Standard SMILES
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21- InChIKey
FURUXTVZLHCCNA-AWEZNQCLSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Overview
4',7-dihydroxyflavanone is a dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7. It has a role as a Brassica napus metabolite and a fungal xenobiotic metabolite. It is a member of 4'-hydroxyflavanones, a polyphenol and a dihydroxyflavanone. It is functionally related to a flavanone.
Names & identifiers
- Preferred name
- 4',7-Dihydroxyflavanone
- IUPAC
- 7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
- English name
- Liquiritigenin
- Molecular formula
- C15H12O4
- Molecular weight
- 0
Names & synonyms
CHEBI:136678RefChem:10690144',7-DihydroxyflavanoneDL-Liquiritigenin69097-97-8(+/-)-Liquiritigenin41680-09-57-hydroxy-2-(4-hydroxyphenyl)chroman-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one( inverted exclamation markA)-LiquiritigeninCHEMBL271939
Show more names
Liquiritigenin 98%(+/-)Liquiritigenin
7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one(+/-)-4',7-Dihydroxyflavanone;()-DihydrodaidzeinLiquiritin rhamnoside(R/S)-Liquiritigenin7,4''-dihydroxyflavanone4'',7-Dihydroxyflavanone
Database identifiers
- CAS
41680-09-5、578-86-9、69097-97-8- PubChem CID
- 1889
- DTXSID
DTXSID90274339- ChEMBL
CHEMBL271939
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
LogP2.4
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- LogP
- 2.76 · 2.760 (est)
Chemistry & industry
Suppliers20 total
成都彼样生物科技有限公司18108052721 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都草源康生物科技有限公司13438898246 13438898246 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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