Cerrosillin
PubChem CID: 44257600
Connections displayed (default: 10).
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| Compound Synonyms | Cerrosillin, 5,6,3',5'-tetramethoxyflavone, 17182-56-8, 3',5,5',6-tetramethoxyflavone, 2-(3,5-dimethoxyphenyl)-5,6-dimethoxychromen-4-one, SCHEMBL26113703, LMPK12110105 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dimethoxyphenyl)-5,6-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVNSWJOCOLCOSB-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.2 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.0 |
| Compound Name | Cerrosillin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5425514000000007 |
| Inchi | InChI=1S/C19H18O6/c1-21-12-7-11(8-13(9-12)22-2)17-10-14(20)18-15(25-17)5-6-16(23-3)19(18)24-4/h5-10H,1-4H3 |
| Smiles | COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC(=CC(=C3)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