siamchromones G
PubChem CID: 71460592
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| Compound Synonyms | siamchromones G, CHEMBL2164964 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 522.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxypropyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YMUXHGHBMNSFNG-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -3.736 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.769 |
| Compound Name | siamchromones G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.860827730434783 |
| Inchi | InChI=1S/C18H20O5/c1-18(2)7-6-12-14(23-18)10-15(21-3)16-13(20)9-11(5-4-8-19)22-17(12)16/h6-7,9-10,19H,4-5,8H2,1-3H3 |
| Smiles | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)CCCO)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients