5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 102115496
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4554693, BDBM50522701 |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT78 |
| Xlogp | 5.7 |
| Molecular Formula | C32H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBTOGCSZILHERQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.07 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.572 |
| Compound Name | 5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-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 | -6.175521123809526 |
| Inchi | InChI=1S/C32H22O10/c1-39-18-9-5-16(6-10-18)24-12-21(36)27-19(34)11-20(35)29(32(27)42-24)30-25(40-2)14-26-28(31(30)38)22(37)13-23(41-26)15-3-7-17(33)8-4-15/h3-14,33-35,38H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Elsholtzia Splendens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients