3-Methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate
PubChem CID: 15081093
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| Compound Synonyms | 25466-76-6, 3-Methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate, physcion diacetate, CHEMBL478752, DTXSID80567929, AKOS005065502, 1,8-diacetoxy-3-methoxy-6-methylanthraquinone, 3-Methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyldiacetate |
|---|---|
| Topological Polar Surface Area | 96.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 642.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (8-acetyloxy-6-methoxy-3-methyl-9,10-dioxoanthracen-1-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NZOKPGYOGJBULF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.126 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.273 |
| Compound Name | 3-Methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 368.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.82990308888889 |
| Inchi | InChI=1S/C20H16O7/c1-9-5-13-17(15(6-9)26-10(2)21)20(24)18-14(19(13)23)7-12(25-4)8-16(18)27-11(3)22/h5-8H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhamnus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all