(2R,3R)-3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone
PubChem CID: 21721856
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| Compound Synonyms | (2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone, CHEMBL4172102, CHEBI:67372, (2R,3R)-3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone, DTXSID501123357, 83532-20-1, Q27135831, (6R,7R)-7-hydroxy-9-methoxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one, (6R,7R)-7-hydroxy-9-methoxy-6-phenyl-6,7-dihydro-8H-[1,3]dioxolo[4,5-g]chromen-8-one, (6R,7R)-6,7-Dihydro-7-hydroxy-9-methoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,7R)-7-hydroxy-9-methoxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MJAIKSJQFBNFDU-LSDHHAIUSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.395 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.176 |
| Compound Name | (2R,3R)-3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3909035565217396 |
| Inchi | InChI=1S/C17H14O6/c1-20-17-12-10(7-11-16(17)22-8-21-11)23-15(14(19)13(12)18)9-5-3-2-4-6-9/h2-7,14-15,19H,8H2,1H3/t14-,15+/m0/s1 |
| Smiles | COC1=C2C(=CC3=C1OCO3)O[C@@H]([C@H](C2=O)O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients