3',4'-Methylenedioxy-5,7-dimethylepicatechin
PubChem CID: 71307295
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| Compound Synonyms | CHEBI:173267, (2R,3R)-2-(2H-1,3-BENZODIOXOL-5-YL)-5,7-DIMETHOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-OL, MGA60204, AKOS016028419, 3',4'-Methylenedioxy-5,7-dimethylepicatechin, 5,7-dimethoxy-3',4'-methylenedioxyflavan-3-ol, (+/-)-3',4'-Methylenedioxy-5,7-dimethylepicatechin, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | MMKQEVQTCAAXTI-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin, 3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether |
| Heavy Atom Count | 24.0 |
| Compound Name | 3',4'-Methylenedioxy-5,7-dimethylepicatechin |
| Description | Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices. |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3 |
| Smiles | COC1=CC2=C(CC(C(O2)C3=CC4=C(C=C3)OCO4)O)C(=C1)OC |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H18O6 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:fooddb_chem_all