1,2-Dimethoxyanthracene-9,10-Dione
PubChem CID: 4217712
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| Compound Synonyms | 1,2-dimethoxyanthracene-9,10-dione, 6003-12-9, 1,2-dimethoxyanthra-9,10-quinone, DTXSID90400939, 1,2-DIMETHOXY-9,10-DIHYDROANTHRACENE-9,10-DIONE, Dimethoxyanthrachinon, 12-Dimethoxy-anthraquinone, 1,2-Dimethoxy-anthraquinone, MLS000539179, CHEMBL52884, SCHEMBL496978, DTXCID30351794, AMKRBKSZCGCEJK-UHFFFAOYSA-N, 1,2-dimethoxy-anthracene-9,10-dione, AKOS000277055, s11186, AS-61916, SMR000162745, CS-0322830, AE-562/12222209 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372, P51151, Q16637, P51450, Q9F4F7, O15118, Q96QE3, Q96KQ7, P08659, Q9NR56 |
| Iupac Name | 1,2-dimethoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT537, NPT93, NPT538 |
| Xlogp | 2.8 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMKRBKSZCGCEJK-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.667 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.988 |
| Compound Name | 1,2-Dimethoxyanthracene-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 | -3.5855615999999997 |
| Inchi | InChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gynochthodes Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all