5-Hydroxy-2-methoxy-1,4-naphthoquinone
PubChem CID: 10104346
Connections displayed (default: 10).
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| Compound Synonyms | 15127-94-3, 5-hydroxy-2-methoxynaphthalene-1,4-dione, 5-hydroxy-2-methoxy-1,4-naphthoquinone, 2-Methoxyjuglone, 1,4-Naphthalenedione, 5-hydroxy-2-methoxy-, CHEMBL480099, SCHEMBL5175513, 5-hydroxy-2-methoxynaphthoquinone, DTXSID20435638 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-2-methoxynaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GATGZQSBJAZYRT-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.881 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.584 |
| Compound Name | 5-Hydroxy-2-methoxy-1,4-naphthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3124222 |
| Inchi | InChI=1S/C11H8O4/c1-15-9-5-8(13)10-6(11(9)14)3-2-4-7(10)12/h2-5,12H,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C=CC=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Artemisia Roxburghiana (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Roxburghiana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Betula Mandshurica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ceriops Roxburghiana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Delonix Regia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Engelhardia Roxburghiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Evodia Roxburghiana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Fraxinus Mandshurica (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Juglans Cinerea (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Juglans Sinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
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FOUND_INto/from Victoria Regia (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Viola Mandshurica (Plant) Rel Props:Reference: