6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone
PubChem CID: 23246911
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| Compound Synonyms | 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone, 6,7-dimethoxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one, CHEMBL3931487, LMPK12050118, NSC781124, STL434878, AKOS037480541, NSC-781124, 24203-70-1, 6,7-dimethoxy-3-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-3-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEWUEWUDIYSCEX-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.876 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.887 |
| Compound Name | 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 356.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5762306153846164 |
| Inchi | InChI=1S/C19H16O7/c1-21-14-6-11-13(7-15(14)22-2)24-8-12(18(11)20)10-4-16(23-3)19-17(5-10)25-9-26-19/h4-8H,9H2,1-3H3 |
| Smiles | COC1=CC(=CC2=C1OCO2)C3=COC4=CC(=C(C=C4C3=O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arctostaphylos Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ulex Nanus (Plant) Rel Props:Source_db:cmaup_ingredients