5,7-Dihydroxy-8-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-5-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 44327242
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL316312 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,7-dihydroxy-8-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-5-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C33H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDDWBTHCKGZOCL-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -5.716 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.725 |
| Compound Name | 5,7-Dihydroxy-8-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-5-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 | -6.391276674418607 |
| Inchi | InChI=1S/C33H24O10/c1-39-17-6-4-16(5-7-17)27-14-26(38)32-24(36)13-23(35)30(33(32)43-27)21-10-18(40-2)8-9-20(21)28-15-25(37)31-22(34)11-19(41-3)12-29(31)42-28/h4-15,34-36H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)OC)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients