Basic information
- CAS
76844-66-1- Standard SMILES
COc1c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC- InChIKey
DAUMHRNXYGHXIC-UHFFFAOYSA-N- Molecular formula
- C17H14O7
- Average molar mass
- 330.29 g/mol
- Monoisotopic mass
- 330.07395278
Overview
thymusin has been reported in Clinopodium thymifolium, Mentha suaveolens, and other organisms with data available.
Names & identifiers
- Preferred name
- Thymusin
- IUPAC
- 5,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one
Names & synonyms
Thymusin76844-66-1RefChem:1898845,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one5,6,4'-Trihydroxy-7,8-dimethoxyflavoneCHEMBL4784265,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-oneSCHEMBL30213777DAUMHRNXYGHXIC-UHFFFAOYSA-NDTXSID501319152BDBM50412277LMPK12111445
Show more names
5,6,4'-trihydroxyl-7,8-dimethoxy flavone5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-chromen-4-one #
Database identifiers
- CAS
76844-66-1- PubChem CID
- 628895
- DTXSID
DTXSID501319152- ChEMBL
CHEMBL478426- Nikkaji
- J489.560F
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
- 497
Experimental & physicochemical properties
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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