Glycyrrhizaisoflavone C
PubChem CID: 10595178
Connections displayed (default: 10).
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| Compound Synonyms | Glycyrrhizaisoflavone C, CHEBI:175726, DTXSID101126985, 161014-35-3, 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one, 2a(2),3a(2)-Dihydro-7,7a(2)-dihydroxy-5a(2)-methoxy-2a(2),2a(2)-dimethyl[3,6a(2)-bi-4H-1-benzopyran]-4-one, 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of licorice (Glycyrrhiza species). Glycyrrhizaisoflavone C is found in tea and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 3.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Pyranoisoflavonoids |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IEJGJZLXEWWZHI-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.833 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.169 |
| Compound Name | Glycyrrhizaisoflavone C |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.087405518518519 |
| Inchi | InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3 |
| Smiles | CC1(CCC2=C(O1)C=C(C(=C2OC)C3=COC4=C(C3=O)C=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyranoisoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients