[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-
PubChem CID: 633060
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| Compound Synonyms | [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-, 24456-79-9, SCHEMBL11919738, DTXSID80348230, WZWDIPBLRMIRHM-UHFFFAOYSA-N, 5,5'-Dihydroxy-7,7'-dimethyl-2,2'-binaphthalene-1,1',4,4'-tetrone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CC(C)C3CCCCC3C2C)C(C)C2CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | CcccO)ccc6)C=O)C=CC6=O)))C=CC=O)ccC6=O))cccc6O)))C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CC(C2CC(O)C3CCCCC3C2O)C(O)C2CCCCC12 |
| Classyfire Subclass | Naphthoquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C22H14O6 |
| Scaffold Graph Node Bond Level | O=C1C=C(C2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21 |
| Inchi Key | WZWDIPBLRMIRHM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | biramentaceone |
| Esol Class | Moderately soluble |
| Functional Groups | O=C1C=C(C2=CC(=O)ccC2=O)C(=O)cc1, cO |
| Compound Name | [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl- |
| Exact Mass | 374.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 374.3 |
| 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/C22H14O6/c1-9-3-13-19(15(23)5-9)17(25)7-11(21(13)27)12-8-18(26)20-14(22(12)28)4-10(2)6-16(20)24/h3-8,23-24H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=CC(=O)C4=C(C3=O)C=C(C=C4O)C |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
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