Nataloe-Emodin
PubChem CID: 12313148
Connections displayed (default: 10).
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| Compound Synonyms | nataloe-emodin, nataloe emodin, 1,2,8-trihydroxy-6-methylanthraquinone, 478-46-6, 1,2,8-trihydroxy-6-methylanthracene-9,10-dione, CHEBI:152054, 1,2,8-trihydroxy-6-methyl-9,10-anthraquinone, 1,2,8-trihydroxy-6-methylanthra-9,10-quinone, CHEMBL255703 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,8-trihydroxy-6-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLOSKKPZIOUGFB-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.964 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.438 |
| Compound Name | Nataloe-Emodin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6730880000000004 |
| Inchi | InChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)15(20)12-7(13(8)18)2-3-9(16)14(12)19/h2-5,16-17,19H,1H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Aloe (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aloe Abyssinica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
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