Basic information
- CAS
159359-22-5- Standard SMILES
COc1c(O)c(OC)c2oc(-c3ccccc3O)cc(=O)c2c1O- InChIKey
JWOKGWICZPPYPX-UHFFFAOYSA-N- Molecular formula
- C17H14O7
- Average molar mass
- 330.29 g/mol
- Monoisotopic mass
- 330.07395278
Overview
5,7,2′-trihydroxy-6,8-dimethoxyflavone (K36) is a high-affinity, naturally occurring flavonoid derivative isolated from the medicinal herb Scutellaria baicalensis Georgi.
Names & identifiers
- Preferred name
- 5,7,2'-Trihydroxy-6,8-dimethoxyflavone
- IUPAC
- 5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxychromen-4-one
Names & synonyms
5,7,2'-Trihydroxy-6,8-dimethoxyflavone159359-22-55,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxychromen-4-oneDTXSID6013490155,7,2'-TH-DMFRefChem:101261DTXCID801777945CHEMBL488994orb1991129SCHEMBL4625384LMPK12111429AKOS040735670
Show more names
DB139832',5,7-Trihydroxy-6,8-dimethoxyflavonePD077444NS00071070T1257065,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
159359-22-5- PubChem CID
- 9818878
- DTXSID
DTXSID601349015- ChEMBL
CHEMBL488994- Nikkaji
- J606.350K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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