Lunatin
PubChem CID: 636723
Connections displayed (default: 10).
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| Compound Synonyms | Lunatin, 1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione, 1,3,8-trihydroxy-6-methoxyanthraquinone, 1,3,8-trihydroxy-6-methoxy-anthraquinone, 1,3,8-trihydroxy-6-methoxyanthra-9,10-quinone, 9,10-anthracenedione, 1,3,8-trihydroxy-6-methoxy-, CHEMBL459700, SCHEMBL16226694, CHEBI:206346, DTXSID501336405 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGZZHABEBFUFSC-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.589 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.704 |
| Compound Name | Lunatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.433138942857143 |
| Inchi | InChI=1S/C15H10O6/c1-21-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-6(16)3-10(12)17/h2-5,16-18H,1H3 |
| Smiles | COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Neesiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phlogacanthus Curviflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all