Glicoricone
PubChem CID: 10361658
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| Compound Synonyms | Glicoricone, 161099-37-2, 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-[4,6-dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-, 2',4',7-Trihydroxy-6'-methoxy-3'-prenylisoflavone, CHEMBL4085544, CHEBI:175729, DTXSID401121041, HY-N9329, AKOS040761784, DA-53577, MS-25896, CS-0159470, E80598, 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-4H-chromen-4-one, 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxychromen-4-one, 3-[4,6-Dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one,3-[4,6-dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy- |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of Glycyrrhiza species Glicoricone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 4.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSDIPYMSXRNGMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.107 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.907 |
| Synonyms | 2',4',7-Trihydroxy-6'-methoxy-3'-prenylisoflavone, Glicoricone |
| Compound Name | Glicoricone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| 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 | -4.327105518518518 |
| Inchi | InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19(21(13)26-3)15-10-27-18-8-12(22)5-7-14(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Sp (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients