Anthrarufin
PubChem CID: 8328
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| Compound Synonyms | 1,5-DIHYDROXYANTHRAQUINONE, Anthrarufin, 117-12-4, 1,5-dihydroxyanthracene-9,10-dione, 9,10-Anthracenedione, 1,5-dihydroxy-, 1,5-Dihydroxyanthrachinon, 1,5-Dihydroxy-9,10-anthraquinone, 1,5-Dihydroxy-9,10-anthracenedione, Anthraquinone, 1,5-dihydroxy-, CHEBI:37501, 1,5-Dihydroxy-anthraquinone, NSC 7211, Az-U, CCRIS 3150, 1,5-Dihydroxyanthrachinon [Czech], UNII-KPB60W5S3M, EINECS 204-175-6, KPB60W5S3M, MFCD00001210, NSC 646570, BRN 1881718, NSC-7211, ANTHRARUFIN [MI], NSC-646570, DTXSID8051594, NSC7211, 4-08-00-03268 (Beilstein Handbook Reference), 1,5-Dihydroxyanthra-9,10-quinone, NSC646570, 1,5Dihydroxyanthrachinon, 9, 1,5-dihydroxy-, 1,5Dihydroxyanthraquinone, Anthraquinone,5-dihydroxy-, Epitope ID:116190, Anthraquinone, 1,5dihydroxy, CHEMBL55761, SCHEMBL187843, 1,5Dihydroxy9,10anthraquinone, 1,5Dihydroxy9,10anthracenedione, DTXCID90818191, 1,5-Dihydroxyanthraquinone, tech., 5,9-dihydroxy-1,10-anthraquinone, 9,10-dihydroxy-1,5-anthraquinone, Anthrarufin, technical grade, 85%, 9,10Anthracenedione, 1,5dihydroxy, BBL013162, BDBM50568423, STK803592, WLN: L C666 BV IVJ DQ KQ, AKOS001583186, 1,10-Anthraquinone, 1,5-dihydroxy-, 1,5-Dihydroxyanthra-9,10-quinone #, FD40719, AS-15880, NCI60_041483, SY017889, D0562, NS00014594, F71867, AE-641/00185061, 1,5-dihydroxy-9,10-dihydroanthracene-9,10-dione, Q27117170 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372, P22309 |
| Iupac Name | 1,5-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C14H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPICKYUTICNNNJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.482 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.818 |
| Compound Name | Anthrarufin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 240.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.166260133333333 |
| Inchi | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all