5,6,7-Trimethoxy-8-(3-methylbut-2-enyl)chromen-2-one
PubChem CID: 101914289
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| Compound Synonyms | CHEMBL3426675 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,7-trimethoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CJYYMPLGDRTQMA-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.822 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.968 |
| Compound Name | 5,6,7-Trimethoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.031084036363637 |
| Inchi | InChI=1S/C17H20O5/c1-10(2)6-7-11-14-12(8-9-13(18)22-14)16(20-4)17(21-5)15(11)19-3/h6,8-9H,7H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=C(C2=C1OC(=O)C=C2)OC)OC)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients