1-Methoxy-9,10-anthracenedione
PubChem CID: 6707
Connections displayed (default: 10).
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| Compound Synonyms | 1-Methoxyanthraquinone, 82-39-3, 1-methoxyanthracene-9,10-dione, 9,10-Anthracenedione, 1-methoxy-, 1-Methoxy-9,10-anthracenedione, 1-METHOXY-9,10-ANTHRAQUINONE, Anthraquinone, 1-methoxy-, CCRIS 5615, EINECS 201-418-8, UNII-3I7WM10A1M, NSC 400205, BRN 1880353, 3I7WM10A1M, NSC-400205, DTXSID8058871, J3.866K, 1-methoxy anthraquinone, methoxyanthraquinone, NSC400205, 9, 1-methoxy-, 1-Methoxy-anthraquinone, SCHEMBL612831, DTXCID2048248, CQGDBBBZCJYDRY-UHFFFAOYSA-N, AKOS024352246, DS-003085, NS00038196, Q27257251 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQGDBBBZCJYDRY-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.216 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.859 |
| Compound Name | 1-Methoxy-9,10-anthracenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1636337333333335 |
| Inchi | InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3 |
| Smiles | COC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Markhamia Lutea (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Nelumbo Lutea (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Nuphar Lutea (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Pseudofumaria Lutea (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Striga Lutea (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Tabebuia Argentia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Tabebuia Aurea (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Tabebuia Heterophylla (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Tabebuia Impetiginosa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Tabebuia Rosea (Plant) Rel Props:Reference: