siamchromones A
PubChem CID: 71453417
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| Compound Synonyms | siamchromones A, CHEMBL2164958 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-(3-hydroxypropanoyl)-5-(2-oxopropyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C15H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZZVSVNDUGJZEW-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -2.33 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.13 |
| Compound Name | siamchromones A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9312611523809519 |
| Inchi | InChI=1S/C15H14O6/c1-8(17)4-9-5-10(18)6-14-15(9)12(20)7-13(21-14)11(19)2-3-16/h5-7,16,18H,2-4H2,1H3 |
| Smiles | CC(=O)CC1=C2C(=CC(=C1)O)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