Licofuranocoumarin
PubChem CID: 5319001
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| Compound Synonyms | Licofuranocoumarin, 329319-07-5, UNII-12N25RCC2E, 12N25RCC2E, 7H-Furo(3,2-g)(1)benzopyran-7-one, 6-(2,4-dihydroxyphenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (-)-, 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one, 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one, CHEBI:175895, AKOS040752566, Q27251427, 2,4'-Dihydroxy-5-methoxy-5''-(1-hydroxy-1-methylethyl)-4'',5''-dihydrofurano[2'',3'':7,6]-3-phenylcoumarin, 3-(2,4-dihydroxyphenyl)-7-(2-hydroxypropan-2-yl)-5-methoxy-2H,6H,7H-furo[3,2-g]chromen-2-one, 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrouro[3,2-g]chromen-7-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of Glycyrrhiza uralensis (Chinese licorice). Licofuranocoumarin is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C21H20O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GAUFLNQQCSXBPK-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.727 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.587 |
| Synonyms | 2,4'-Dihydroxy-5-methoxy-5''-(1-hydroxy-1-methylethyl)-4'',5''-dihydrofurano[2'',3'':7,6]-3-phenylcoumarin |
| Compound Name | Licofuranocoumarin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 384.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4938379428571444 |
| Inchi | InChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3 |
| Smiles | CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)O |
| 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