Echinochrome A
PubChem CID: 135457951
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| Compound Synonyms | Echinochrome A, 517-82-8, 1471-96-1, 2,3,5,6,8-Pentahydroxy-7-ethyl-1,4-naphthoquinone, 6-ethyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dione, Echinochrom A, CHEMBL155722, SCHEMBL2139342, SCHEMBL5273064, DTXSID60276542, NCFUWNUATANZPH-UHFFFAOYSA-N, 6-Ethyl-2,7-trihydroxynaphthazarin, NSC291291, NSC-291291, 1, 6-ethyl-2,3,5,7,8-pentahydroxy-, 2-Ethyl-3,5,6,7,8-pentahydroxy-[1,4]naphthoquinone |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.0 |
| Molecular Formula | C12H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNRFNICCPHGYAX-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.561 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.204 |
| Compound Name | Echinochrome A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 266.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9118552105263156 |
| Inchi | InChI=1S/C12H10O7/c1-2-3-6(13)4-5(8(15)7(3)14)10(17)12(19)11(18)9(4)16/h13-15,18-19H,2H2,1H3 |
| Smiles | CCC1=C(C2=C(C(=C1O)O)C(=O)C(=C(C2=O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients