9,10-Dimethoxy-2-methylanthracene-1,4-dione
PubChem CID: 14283285
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2CC3CCCCC3CC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | COccC=O)C=CC=O)c6ccc%10cccc6))))))OC)))))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1CCC(O)C2CC3CCCCC3CC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10-dimethoxy-2-methylanthracene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O4 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2cc3ccccc3cc21 |
| Inchi Key | CGKURDDUNHIEID-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 9,10-dimethoxy-2-methyl-1,4-anthraquinone |
| Esol Class | Soluble |
| Functional Groups | CC1=CC(=O)ccC1=O, cOC |
| Compound Name | 9,10-Dimethoxy-2-methylanthracene-1,4-dione |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H14O4/c1-9-8-12(18)13-14(15(9)19)17(21-3)11-7-5-4-6-10(11)16(13)20-2/h4-8H,1-3H3 |
| Smiles | CC1=CC(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)OC)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Reference:ISBN:9788172363093