Thymusin
PubChem CID: 628895
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| Compound Synonyms | Thymusin, 5,6,4'-Trihydroxy-7,8-dimethoxyflavone, CHEMBL478426, 76844-66-1, DAUMHRNXYGHXIC-UHFFFAOYSA-N, DTXSID501319152, 5,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one, BDBM50412277, LMPK12111445, 5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Thymusin is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, thymusin is considered to be a flavonoid lipid molecule. Thymusin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Thymusin can be found in peppermint, which makes thymusin a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P07943 |
| Iupac Name | 5,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAUMHRNXYGHXIC-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.73 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.254 |
| Synonyms | 4',5,6-Trihydroxy-7,8-dimethoxyflavone, 5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one, Thymusin |
| Compound Name | Thymusin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3297437333333333 |
| Inchi | InChI=1S/C17H14O7/c1-22-16-14(21)13(20)12-10(19)7-11(24-15(12)17(16)23-2)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=O)C=C(OC2=C1OC)C3=CC=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all