5-Methoxy-6,7-methylenedioxyflavone
PubChem CID: 189609
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| Compound Synonyms | 5-Methoxy-6,7-methylenedioxyflavone, 119120-32-0, 9-methoxy-6-phenyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one, 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-6-phenyl-, 9-Methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one, SCHEMBL974544, CHEMBL186478, DTXSID50152321, CHEBI:186675, LMPK12111101 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGLORVNWTNPBMU-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.927 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.055 |
| Compound Name | 5-Methoxy-6,7-methylenedioxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 296.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4565054181818184 |
| Inchi | InChI=1S/C17H12O5/c1-19-17-15-11(18)7-12(10-5-3-2-4-6-10)22-13(15)8-14-16(17)21-9-20-14/h2-8H,9H2,1H3 |
| Smiles | COC1=C2C(=CC3=C1OCO3)OC(=CC2=O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Polygonum Lapathifolium (Plant) Rel Props:Source_db:npass_chem_all