Basic information
- CAS
70872-29-6- Standard SMILES
COc1cc(O)c(CC=C(C)C)c2c1C(=O)CC(c1ccc(O)cc1)O2- InChIKey
YKGCBLWILMDSAV-UHFFFAOYSA-N- Molecular formula
- C21H22O5
- Average molar mass
- 354.4 g/mol
Overview
Isoxanthohumol is a member of flavanones.
Names & identifiers
- Preferred name
- Isoxanthohumol
- IUPAC
- 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
- English name
- ISOXANTHOHUMOL
- Molecular formula
- C21H22O5
- Molecular weight
- 354.4
Names & synonyms
Isoxanthohumol7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneB3BXQ4EZD6DTXSID101045280RefChem:150151DTXCID40152720770872-29-6521-48-2Isoxanthohumol(Sophora)5-Methylsophoraflavanone BMFCD002387187-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one
Show more names
(2S)-IsoxanthohumollsoxanthohumolIsoxanthohunolIs0xanthohumolISOXANTHOHUMOL(P)(?)-Isoxanthohumol(-)-IsoxanthohumolIsoxanthohumol, (2S)-Hybutimibe Impurity 24(2S)-Isoxanthohumol (Standard)
CHEMBL49282872247-79-1Isoxanthohumol, >=99% (HPLC)7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one7-hydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-methyl-but-2-enyl)-chroman-4-one4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; 4',7-Dihydroxy-5-methoxy-8-(3-methyl-2-butenyl)-flavanone;UNII-B3BXQ4EZD6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Physicochemical properties
- Melting point
- 196 · 196-208℃
- Boiling point
- 585.8 · 585.8±50.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder to crystal
- pka
- 7.9 · 7.90±0.40(Predicted)
- color
- White to Orange to Green
- λmax
- 325 nm · 325nm(lit.)
- LogP
- 5.07 · 5.070 (est)
- FDA UNII
- 4 YHZ98N7Q · X4YHZ98N7Q
- HS Code
- 29329990 · 29329990
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 29329990
Chemistry & industry
Applications
Uses(-)-Isoxanthohumol is a structural analog of xanthohumol that possesses anti-microbial activity. Also, it exhibits diverse biological activities, e.g. antitumor, antiiflammatory, antioxidant and antiangiogenic.
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Related reactions
2 records
Compound notes
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