5,7-Dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 163006641
Connections displayed (default: 10).
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| 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 | 5,7-dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C33H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWUZLQMOKBNEQW-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -3.945 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.45 |
| Compound Name | 5,7-Dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-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 | -6.391276674418608 |
| Inchi | InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-29(42-26)15-22(35)30(33(32)38)20-10-17(6-9-25(20)41-3)27-13-23(36)31-21(34)11-19(40-2)12-28(31)43-27/h4-15,34-35,38H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients