siamchromones F
PubChem CID: 71456924
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| Compound Synonyms | siamchromones F, CHEMBL2164963 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 507.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(3-hydroxypropyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LSTSJVTZHUDXHI-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.276 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.717 |
| Compound Name | siamchromones F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9993848363636366 |
| Inchi | InChI=1S/C17H18O5/c1-17(2)6-5-11-14(22-17)9-13(20)15-12(19)8-10(4-3-7-18)21-16(11)15/h5-6,8-9,18,20H,3-4,7H2,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CCCO)O)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