Wharangin
PubChem CID: 12444939
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| Compound Synonyms | Wharangin, 571-73-3, 3',4',5-Trihydroxy-3-methoxy-7,8-methylenedioxyflavone, 8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-[1,3]dioxolo[4,5-h]chromen-6-one, 8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-(1,3)dioxolo(4,5-h)chromen-6-one, CHEBI:193321, LMPK12113260, 5-Hydroxy-8-(3,4-dihydroxyphenyl)-7-methoxy-6H-1,3-dioxolo[4,5-h][1]benzopyran-6-one |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Description | Isolated from spinach (Spinacia oleracea). Wharangin is found in green vegetables and spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-[1,3]dioxolo[4,5-h]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOZQEJFGIXKUPM-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.094 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.636 |
| Synonyms | 3',4',5-Trihydroxy-3-methoxy-7,8-methylenedioxyflavone, Wharangin |
| Compound Name | Wharangin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.053 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.626505 |
| Inchi | InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3 |
| Smiles | COC1=C(OC2=C(C1=O)C(=CC3=C2OCO3)O)C4=CC(=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients