2-hydroxy-Alternariol
PubChem CID: 60163211
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| Compound Synonyms | 2-hydroxy-Alternariol, 2,3,7,9-tetrahydroxy-1-methylbenzo[c]chromen-6-one, 2,3,7,9-tetrahydroxy-1-methylbenzo(c)chromen-6-one, CHEBI:199039 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,7,9-tetrahydroxy-1-methylbenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLTIPSADRLSQMI-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.253 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.701 |
| Compound Name | 2-hydroxy-Alternariol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 274.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9482136 |
| Inchi | InChI=1S/C14H10O6/c1-5-11-7-2-6(15)3-8(16)12(7)14(19)20-10(11)4-9(17)13(5)18/h2-4,15-18H,1H3 |
| Smiles | CC1=C(C(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients