2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
PubChem CID: 131750990
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| Compound Synonyms | 2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone, CHEBI:173207, DTXSID101127107, 6,11-dihydroxy-10-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one, 3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 6,11-Dihydroxy-10-methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one, 3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 9CI, 90846-44-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCCC3CCC12 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COcccccc6O))nC)ccc6=O))cO)ccc6C=CCO6)C)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2C3CCCOC3CCC12 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-10-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H19NO5 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3 |
| Inchi Key | AOYGNVHBYGMHGR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 9ci, 6,11-Dihydroxy-10-methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one, 2',2'-dimethyl-(pyrano 5',6'_3_4)-1,5-dihydroxy-6-methoxy-10-methylacridone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, cn(c)C |
| Compound Name | 2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone |
| Kingdom | Organic compounds |
| Exact Mass | 353.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 353.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12(22)15-16(10)21(3)17-11(18(15)23)5-6-13(25-4)19(17)24/h5-9,22,24H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4O)OC)C)O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acridones |
| Np Classifier Superclass | Anthranilic acid alkaloids |
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FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:ISBN:9788185042114