Cerosilin B
PubChem CID: 44257603
Connections displayed (default: 10).
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| Compound Synonyms | Cerosilin B, LMPK12110110, 5,6,3',4',5'-Pentamethoxyflavon, 5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 59481-47-9 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIYFWULCBWYNDB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.312 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.743 |
| Compound Name | Cerosilin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-14-7-6-13-18(20(14)26-5)12(21)10-15(27-13)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3 |
| Smiles | COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Profunda (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Source_db:cmaup_ingredients