Glepidotin A
PubChem CID: 5281619
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| Compound Synonyms | Glepidotin A, 8-Prenylgalangin, 42193-83-9, 8-(3,3-DMA)galangin, CHEBI:5380, 8-(3,3-Dimethylallyl)galangin, 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one, DTXSID60415156, 3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-4H-1-benzopyran-4-one, 3,5,7-Trihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-4H-chromen-4-one, SCHEMBL1170732, 5,7-dihydroxy-8-prenylflavonol, CHEMBL2165001, DTXCID50366007, LMPK12111639, Q27106743 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Is Pains | False |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCSHKPNHOSDFGK-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Glepidotin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8720258 |
| Inchi | InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Lepidota (Plant) Rel Props:Source_db:cmaup_ingredients