8-[5-(5,7-Dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
PubChem CID: 5494869
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| Compound Synonyms | 4',7'-O-Methylamentoflavone, 8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one, 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P56817, n.a., P05067 |
| Iupac Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C32H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVCFMRWVQJAWDY-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.736 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.453 |
| Compound Name | 8-[5-(5,7-Dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-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 | -6.175521123809526 |
| Inchi | InChI=1S/C32H22O10/c1-39-24-8-5-16(26-12-21(36)30-20(35)10-18(34)11-28(30)41-26)9-19(24)29-27(40-2)14-23(38)31-22(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-35,38H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)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 Cephalotaxus Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all