1,2-Dihydro-1,3,8-trihydroxy-2-methylanthraquinone
PubChem CID: 13915506
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| Compound Synonyms | 1,2-dihydro-1,3,8-trihydroxy-2-methylanthraquinone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CC3CCCCC3C(C)C2C1 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | O=CC=CC=CO)ccC6=O))cccc6O))))))))CC6C))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1CCC2CC3CCCCC3C(O)C2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 544.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,10-trihydroxy-3-methyl-3,4-dihydroanthracene-2,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O5 |
| Scaffold Graph Node Bond Level | O=C1C=C2C(=O)c3ccccc3C=C2CC1 |
| Inchi Key | BJOLKPJTRXMOGP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-dihydro-1,3,8-trihydroxy-2-methylanthraquinone |
| Esol Class | Soluble |
| Functional Groups | CO, O=C1C=C2C(=O)ccC(O)=C2CC1, cO |
| Compound Name | 1,2-Dihydro-1,3,8-trihydroxy-2-methylanthraquinone |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H12O5/c1-6-10(17)5-8-12(13(6)18)15(20)11-7(14(8)19)3-2-4-9(11)16/h2-6,13,16,18,20H,1H3 |
| Smiles | CC1C(C2=C(C3=C(C=CC=C3O)C(=O)C2=CC1=O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
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FOUND_INto/from Cassia Roxburghii (Plant) Rel Props:Reference:ISBN:9770972795006