Basic information
- CAS
446-71-9- Standard SMILES
COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O- InChIKey
FTODBIPDTXRIGS-ZDUSSCGKSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903817
Overview
Homoeriodictyol is a trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. It has a role as a metabolite and a flavouring agent. It is a member of 4'-hydroxyflavanones, a member of 3'-methoxyflavanones, a monomethoxyflavanone and a trihydroxyflavanone. It is functionally related to an eriodictyol.
Names & identifiers
- Preferred name
- Homoeriodictyol
- IUPAC
- (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
- English name
- HOMOERIODICTYOL
- Molecular formula
- C16H14O6
- Molecular weight
- 302.28
Names & synonyms
Homoeriodictyol446-71-9(-)-HomoeriodictyolEriodictyonone5,7,4'-Trihydroxy-3'-methoxyflavanoneEriodictyol 3'-methyl etherEHE7H3705C(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyroneCHEBI:74960DTXSID30196243RefChem:146727
Show more names
4',5,7-trihydroxy-3'-methoxyflavanoneHersperetinHOMOERIODICTYOL hplc(-)-HOMOERIODICTYOL WITH HPLC(2S)-3'-Methoxy-4',5,7-trihydroxyflavanone(S)-2,3-Dihydro-4',5,7-trihydroxy-3'-methoxyflavone
DTXCID40118734207-173-35,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one3'-Methoxy-5,7,4'-trihydroxyflavanoneCHEMBL490170(S)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-one(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-4-oneUNII-EHE7H3705C
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Hesperidin
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 225 · 225-227°C (dec.)
- alpha
- 20 · D20 -28° (alc)
- Boiling point
- 583.8 · 583.8±50.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 7.49 · 7.49±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
- InChIKey
- FTODBIPDTXRIGS-ZDUSSCGKSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
UsesBenzofenap (Standard) is the analytical standard of Benzofenap. This product is intended for research and analytical applications. Benzofenap is a herbicide.
Suppliers72 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]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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