siamchromones B
PubChem CID: 71449766
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | siamchromones B, CHEMBL2164959 |
|---|---|
| Topological Polar Surface Area | 89.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxypropanoyl)-7-methoxy-5-(2-oxopropyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C16H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UPAXPVBWMZTOBI-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -2.928 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.966 |
| Compound Name | siamchromones B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 304.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1378112363636361 |
| Inchi | InChI=1S/C16H16O6/c1-9(18)5-10-6-11(21-2)7-15-16(10)13(20)8-14(22-15)12(19)3-4-17/h6-8,17H,3-5H2,1-2H3 |
| Smiles | CC(=O)CC1=C2C(=CC(=C1)OC)OC(=CC2=O)C(=O)CCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients