Glycyrrhiza isoflavone B
PubChem CID: 10546844
Connections displayed (default: 10).
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| Compound Synonyms | Glycyrrhiza isoflavone B, Glycyrrhizaisoflavone B, Glycyrrhiza-isoflavone B, UNII-MUH1I4KK6U, MUH1I4KK6U, 197304-07-7, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-5-methoxy-, CHEBI:175696, DTXSID601313276, Q27284230, 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxychromen-4-one, 7-hydroxy-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-5-methoxy-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of Glycyrrhiza species Glycyrrhizaisoflavone B is found in root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C21H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLQRKKBBWHNDFD-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.608 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.164 |
| Synonyms | Glycyrrhizaisoflavone B |
| Compound Name | Glycyrrhiza isoflavone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.037106318518519 |
| Inchi | InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C(=CC(=C4)O)OC)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients