Luteolin 4'-sulfate
PubChem CID: 44258152
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| Compound Synonyms | Luteolin 4'-sulfate, Luteolin 4'-sulphate, CHEBI:169924, DTXSID101158334, LMPK12110736, 60889-07-8, [4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl] hydrogen sulate, 5,7-Dihydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 159.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | OcccO)ccc6)occc6=O)))cccccc6)O))OS=O)=O)O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Flavonoids |
| Description | Isolated from Daucus carota (carrot). Luteolin 4'-sulfate is found in wild carrot, root vegetables, and carrot. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 652.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl] hydrogen sulfate |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 0.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O9S |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | MCJCSFGCQMESFL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-(7H-purin-6-ylamino)propanoic Acid, Luteolin 4'-sulfate, Luteolin 4'-sulphate, Luteolin 4'-sulfuric acid, Luteolin 4'-sulphuric acid, 2-(7H-Purin-6-ylamino)propanoic acid, 4-o-sulfate-3,4,5,7-tetrahydroxyflavone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOS(=O)(=O)O, coc |
| Compound Name | Luteolin 4'-sulfate |
| Kingdom | Organic compounds |
| Exact Mass | 366.005 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.005 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 366.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-13(23-14(15)5-8)7-1-2-12(9(17)3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22) |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OS(=O)(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Flavones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all