1,3,8-Trimethoxy-6-methylanthracene-9,10-dione
PubChem CID: 7330510
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| Compound Synonyms | 1,3,8-trimethoxy-6-methylanthracene-9,10-dione, 6414-42-2, 9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl-, CHEMBL428867, SCHEMBL9878243, DTXSID40428542, 1,3,8-trimethoxy-6-methyl-9,10-anthraquinone |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08419, P08246, P00766, P03372 |
| Iupac Name | 1,3,8-trimethoxy-6-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HICKZJMJOXACIR-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.928 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.103 |
| Compound Name | 1,3,8-Trimethoxy-6-methylanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9489771565217398 |
| Inchi | InChI=1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=C(C=C3OC)OC |
| 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