Artoindonesianin Q
PubChem CID: 5320428
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| Compound Synonyms | Artoindonesianin Q, 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one, CHEBI:178247, LMPK12110910, 502718-00-5 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C22H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIGFIYUYIAFKOH-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -3.483 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.136 |
| Compound Name | Artoindonesianin Q |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 398.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 398.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.091124062068966 |
| Inchi | InChI=1S/C22H22O7/c1-11(2)5-6-13-21(26)20-17(25)7-12(27-3)8-19(20)29-22(13)14-9-16(24)18(28-4)10-15(14)23/h5,7-10,23-25H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3O)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Integer (Plant) Rel Props:Source_db:cmaup_ingredients