Basic information
- CAS
572-03-2- Standard SMILES
CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2- InChIKey
GHCZYXUOYFOXIP-UHFFFAOYSA-N- Molecular formula
- C25H24O6
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.15728848
Overview
Pomiferin is a member of isoflavanones.
Names & identifiers
- Preferred name
- Pomiferin
- IUPAC
- 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
- English name
- POMIFERIN
- Molecular formula
- C25H24O6
- Molecular weight
- 420.45
Names & synonyms
pomiferin572-03-2NSC-511374YIS40APM3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-DTXSID002058313-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H-pyrano(2,3-h)chromen-4-one3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano(2,3-h)chromen-4-oneRefChem:175222DTXCID30128322NSC5113
Show more names
Pomiferin (NSC 5113)3-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-
MLS002701889CHEBI:8329C25H24O63-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-oneUNII-74YIS40APMSpectrum_000295AI3-22130
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 792
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Collision Cross Section
197.89 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
205.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 300 ℃ · >300℃
- Boiling point
- 673.5 · 673.5±55.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 6.85 · 6.85±0.40(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- biological source
- plant
- Cosmetics Ingredients Functions
- ANTIOXIDANT
Chemistry & industry
Applications
UsesPomiferin is a useful research chemical compound.
UsesPomiferin is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
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成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
Related reactions
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Compound notes
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