5-Deoxyglyasperin F
PubChem CID: 1812
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| Compound Synonyms | 5-Deoxyglyasperin F, NSC692933, CHEBI:65746, 5',7-dihydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-3,8'-bichromen-4-one, 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one, NSC-692933, Q27134228, 190510-82-8 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | NUHWTADXTBESTA-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | 5-Deoxyglyasperin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.2934258000000005 |
| Inchi | InChI=1S/C20H18O5/c1-20(2)8-7-13-16(22)6-5-12(19(13)25-20)15-10-24-17-9-11(21)3-4-14(17)18(15)23/h3-9,15,21-22H,10H2,1-2H3 |
| Smiles | CC1(C=CC2=C(C=CC(=C2O1)C3COC4=C(C3=O)C=CC(=C4)O)O)C |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H18O5 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Lysistemon (Plant) Rel Props:Source_db:cmaup_ingredients