8-Hydroxy-1-methoxy-3-methylanthraquinone
PubChem CID: 13412789
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| Compound Synonyms | 8-Hydroxy-1-methoxy-3-methylanthraquinone, 67116-22-7, 8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione, CHEMBL454477, SCHEMBL8930315, DTXSID20540019, CHEBI:174530, 1-methoxy-3-methyl-8-hydroxy-anthraquinone, 8-HYDROXY-1-METHOXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of Rumex acetosa (sorrel). 8-Hydroxy-1-methoxy-3-methylanthraquinone is found in green vegetables and garden rhubarb. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Class | Anthracenes |
| Xlogp | 3.4 |
| Superclass | Benzenoids |
| Subclass | Anthraquinones |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVRUANCWPQJDMF-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.746 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.996 |
| Synonyms | 8-Hydroxy-1-methoxy-3-methylanthraquinone |
| Compound Name | 8-Hydroxy-1-methoxy-3-methylanthraquinone |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -4.0232616 |
| Inchi | InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=CC=C3O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthraquinones |
- 1. Outgoing r'ship
FOUND_INto/from Karwinskia Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all