Methylenebissantin
PubChem CID: 56835122
Connections displayed (default: 10).
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| Compound Synonyms | METHYLENEBISSANTIN, CHEMBL1933858, 8-((5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl)methyl)-5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, 8-[[5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, BDBM50360385 |
|---|---|
| Topological Polar Surface Area | 189.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 51.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1220.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q965D5 |
| Iupac Name | 8-[[5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C37H32O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PCEQWQQXZCRNCK-UHFFFAOYSA-N |
| Fcsp3 | 0.1891891891891892 |
| Logs | -3.696 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.435 |
| Compound Name | Methylenebissantin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 700.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 700.179 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 700.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.220237525490199 |
| Inchi | InChI=1S/C37H32O14/c1-44-18-11-7-16(8-12-18)30-36(48-5)28(42)22-26(40)34(46-3)24(38)20(32(22)50-30)15-21-25(39)35(47-4)27(41)23-29(43)37(49-6)31(51-33(21)23)17-9-13-19(45-2)14-10-17/h7-14,38-41H,15H2,1-6H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)O)CC4=C(C(=C(C5=C4OC(=C(C5=O)OC)C6=CC=C(C=C6)OC)O)OC)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
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