Basic information
- CAS
74174-29-1- Standard SMILES
COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1OC- InChIKey
JGINXZCTOGQYKS-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Overview
Haginin A is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- Haginin A
- IUPAC
- 3-(4-hydroxy-2,3-dimethoxyphenyl)-2H-chromen-7-ol
- English name
- NSC360042
- Molecular formula
- C17H16O5
- Molecular weight
- 300.31
Names & synonyms
HAGININ A74174-29-17,4'-Dihydroxy-2',3'-dimethoxyisoflaveneDTXSID40320471RefChem:922676DTXCID202715933-(4-hydroxy-2,3-dimethoxyphenyl)-2H-chromen-7-olNSC360042SCHEMBL571483orb1682455CHEMBL1989020CHEBI:185662
Show more names
2H-1-Benzopyran-7-ol, 3-(4-hydroxy-2,3-dimethoxyphenyl)-
HY-N8254ZCA17429LMPK12080067TN4179AKOS040761813NSC-360042DA-73994NCI60_003278
Database identifiers
- CAS
74174-29-1- PubChem CID
- 338286
- DTXSID
DTXSID40320471- ChEMBL
CHEMBL1989020- ChEBI
CHEBI:185662
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavans [PK1208]
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Boiling point
- 520.9 · 520.9±50.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 9.45 · 9.45±0.20(Predicted)
Chemistry & industry
Applications
UsesHaginin A (compound 3）can be isolated from the EtOAc fraction of Lespedeza cyrtobotrya. Haginin A has radical scavenging activity with IC50 values of 9.0 μM and 37.7 μM in the ABTS system and DPPH system, respectively[1].
Suppliers12 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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