3-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 162999771
Connections displayed (default: 10).
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| Topological Polar Surface Area | 152.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1080.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C32H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJCNROQMIZQKRX-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.156 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.356 |
| Compound Name | 3-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 566.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 566.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 566.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.522021123809525 |
| Inchi | InChI=1S/C32H22O10/c1-39-18-9-5-16(6-10-18)32-29(31(38)26-20(34)11-19(40-2)12-24(26)42-32)28-22(36)14-25-27(30(28)37)21(35)13-23(41-25)15-3-7-17(33)8-4-15/h3-14,33-34,36-37H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)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