Echinamine A
PubChem CID: 11536283
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| Compound Synonyms | ECHINAMINE A, CHEMBL504599, 3-amino-7-ethyl-2,5,6,8-tetrahydroxy-1,4-naphthoquinone, 3-amino-7-ethyl-4,5,6,8-tetrahydroxynaphthalene-1,2-dione |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-amino-7-ethyl-4,5,6,8-tetrahydroxynaphthalene-1,2-dione |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C12H11NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXIBFAQQHSDVSU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.702 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.184 |
| Compound Name | Echinamine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.059 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 265.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7041544105263156 |
| Inchi | InChI=1S/C12H11NO6/c1-2-3-7(14)4-5(10(17)8(3)15)9(16)6(13)12(19)11(4)18/h14-17H,2,13H2,1H3 |
| Smiles | CCC1=C(C2=C(C(=C(C(=O)C2=O)N)O)C(=C1O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients