Gancaonin N
PubChem CID: 14604080
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| Compound Synonyms | Gancaonin N, 129145-52-4, 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one, 5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone, SCHEMBL1170765, CHEBI:175732, DTXSID301121050, LMPK12050297, AKOS040761761, FS-8189, CS-0148730, 2',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone, 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-, 5,7-Dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Description | Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin N 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 4.6 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflavans |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | STFVTZQCNYBLNE-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.137 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.899 |
| Synonyms | 2',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone, 4'-Methoxyluteone, 5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone, Gancaonin N |
| Compound Name | Gancaonin N |
| 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 | -4.673605518518519 |
| Inchi | InChI=1S/C21H20O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-10,22-24H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)OC)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-prenylated isoflavanones |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all