8-[5-(5,7-Dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID: 44566657
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| Compound Synonyms | CHEMBL446848 |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.5 |
| Molecular Formula | C33H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDKDRQLVGXYRCW-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.896 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.579 |
| Compound Name | 8-[5-(5,7-Dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 580.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.044776674418606 |
| Inchi | InChI=1S/C33H24O10/c1-39-19-11-27(40-2)32-24(38)14-26(42-29(32)12-19)17-6-9-21(35)20(10-17)30-28(41-3)15-23(37)31-22(36)13-25(43-33(30)31)16-4-7-18(34)8-5-16/h4-15,34-35,37H,1-3H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Moellendorffii (Plant) Rel Props:Source_db:cmaup_ingredients