3,10,11-Trihydroxydibenz[b,e]oxonin-7,13(6h,8h)-dione
PubChem CID: 15703605
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| Compound Synonyms | 3,10,11-trihydroxydibenz[b,e]oxonin-7,13(6h,8h)-dione |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CCCCC2C(C)C2CCCCC2C1 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | O=CCOcccO)ccc6C=O)ccC%13)ccO)cc6)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1COC2CCCCC2C(O)C2CCCCC2C1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,15,16-trihydroxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O6 |
| Scaffold Graph Node Bond Level | O=C1COc2ccccc2C(=O)c2ccccc2C1 |
| Inchi Key | FJGNEWVNLUZEIN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | caesalpin p |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, cC(c)=O, cO, cOC |
| Compound Name | 3,10,11-Trihydroxydibenz[b,e]oxonin-7,13(6h,8h)-dione |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| 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/C16H12O6/c17-9-1-2-11-15(5-9)22-7-10(18)3-8-4-13(19)14(20)6-12(8)16(11)21/h1-2,4-6,17,19-20H,3,7H2 |
| Smiles | C1C(=O)COC2=C(C=CC(=C2)O)C(=O)C3=CC(=C(C=C31)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Sappan (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042145