2-Methoxy-7-Methyljuglone
PubChem CID: 492458
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| Compound Synonyms | 2-methoxy-7-methyljuglone, CHEMBL109013, 5-Hydroxy-2-methoxy-7-methyl-[1,4]naphthoquinone, 39058-18-9, 5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione, SCHEMBL10402093, BDBM50107001, 5-hydroxy-2-methoxy-7-methyl-naphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q4U254 |
| Iupac Name | 5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBAYLNVMQQHPOR-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.399 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.91 |
| Compound Name | 2-Methoxy-7-Methyljuglone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7840895999999997 |
| Inchi | InChI=1S/C12H10O4/c1-6-3-7-11(8(13)4-6)9(14)5-10(16-2)12(7)15/h3-5,13H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all