5-hydroxy-3-[(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 162957301
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 | 1040.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-hydroxy-3-[(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C33H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FELRTXMPQIMFRR-HSZRJFAPSA-N |
| Fcsp3 | 0.1515151515151515 |
| Logs | -2.834 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.219 |
| Compound Name | 5-hydroxy-3-[(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 582.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 582.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 582.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.00273866511628 |
| Inchi | InChI=1S/C33H26O10/c1-39-19-10-6-17(7-11-19)33-30(32(38)27-21(35)12-20(40-2)13-25(27)43-33)29-24(41-3)15-26-28(31(29)37)22(36)14-23(42-26)16-4-8-18(34)9-5-16/h4-13,15,23,34-35,37H,14H2,1-3H3/t23-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)C[C@@H](O5)C6=CC=C(C=C6)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients