1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione
PubChem CID: 11300144
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| Compound Synonyms | 3300-25-2, 8-Methyl Chrysophanol, 1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione, 9,10-Anthracenedione, 1-hydroxy-8-methoxy-3-methyl-, CHEMBL4462169, SCHEMBL16226264, DTXSID70461700, HY-N7618, AKOS030561205, DA-50023, 1-hydroxy-8-methoxy-3-methylanthraquinone, CS-0134801, D85141, 1-hydroxy-8-methoxy-3-methylanthra-9,10-quinone |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOGWLZYYLVDAOW-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.753 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.028 |
| Compound Name | 1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0232616 |
| Inchi | InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)20-2/h3-7,17H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Endiandra Xanthocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helichrysum Subulifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hemsleya Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Scilla Socialis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Senna Lindheimeriana (Plant) Rel Props:Source_db:cmaup_ingredients