5'-Formylglabridin
PubChem CID: 46230506
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| Compound Synonyms | 5'-formylglabridin, CHEMBL599165 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 559.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,4-dihydroxybenzaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XIEKVEQDEUJPTD-AWEZNQCLSA-N |
| Fcsp3 | 0.2857142857142857 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5'-Formylglabridin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.691331661538462 |
| Inchi | InChI=1S/C21H20O5/c1-21(2)6-5-15-19(26-21)4-3-12-7-14(11-25-20(12)15)16-8-13(10-22)17(23)9-18(16)24/h3-6,8-10,14,23-24H,7,11H2,1-2H3/t14-/m0/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C(=C4)C=O)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients