Zeanoside C
PubChem CID: 13988324
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| Compound Synonyms | Zeanoside C, 2-[3-hydroxy-2-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid, 2-(2,3-Dihydroxy-7-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3H-indol-3-yl)acetate, 2-(2,3-Dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)acetate, 2-(3-hydroxy-2-oxo-7-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1H-indol-3-yl)acetic acid, CHEBI:189022 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC2CCCC(CC3CCCCC3)C2C1 |
| Np Classifier Class | Simple oxindole alkaloids |
| Deep Smiles | OCCOCOcccccc6NC=O)C5O)CC=O)O)))))))))))))CCC6O))O))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Isolated from immature sweet corn kernels Zea mays (Gramineae). Zeanoside C is found in cereals and cereal products, fats and oils, and corn. |
| Scaffold Graph Node Level | OC1CC2CCCC(OC3CCCCO3)C2N1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-hydroxy-2-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H19NO10 |
| Scaffold Graph Node Bond Level | O=C1Cc2cccc(OC3CCCCO3)c2N1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNIXZLMYLWKZLU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Zeanoside C, 2-(2,3-Dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)acetate, zeanoside c |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CO, cNC(C)=O, cOC(C)OC |
| Compound Name | Zeanoside C |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 385.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.101 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 385.32 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.7593594444444447 |
| Inchi | InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20) |
| Smiles | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2(CC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Phenolic glycosides |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all