Cynodontin
PubChem CID: 10148
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| Compound Synonyms | Cynodontin, 476-43-7, 1,4,5,8-tetrahydroxy-2-methylanthracene-9,10-dione, 1,4,5,8-Tetrahydroxy-2-methylanthraquinone, 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthraquinone, XV8PGZ10OT, 1,4,5,8-Tetrahydroxy-2-methyl-9,10-anthracenedione, NSC 114343, BRN 2008371, CYNODONTIN-, ANTHRAQUINONE, 1,4,5,8-TETRAHYDROXY-2-METHYL-, UNII-XV8PGZ10OT, NSC-114343, 9,10-Anthracenedione, 1,4,5,8-tetrahydroxy-2-methyl-, DTXSID90197211, 4-08-00-03688 (Beilstein Handbook Reference), NSC114343, Cyanodontin, TETRAHYDROXY-2-METHYLANTHRAQUINONE, 1,4,5,8-, 9,10-Anthracenedione,1,4,5,8-tetrahydroxy-2-methyl-, SCHEMBL9172388, CHEMBL1968934, DTXCID00119702, HY-N10216, 9, 1,4,5,8-tetrahydroxy-2-methyl-, NCI60_000317, DB-051463, 3-methyl-1,4,5,8-tetrahydroxyanthraquinone, Anthraquinone,4,5,8-tetrahydroxy-2-methyl-, CS-0372322, 9,10-Anthracenedione, 1,4,5,8-tetrahydroxy-2-methyl-(9CI), 1,4,5,8-tetrahydroxy-2-methyl-9,10-dihydroanthracene-9,10-dione |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthracyclines, Anthraquinones and anthrones |
| Deep Smiles | CcccO)ccc6O))C=O)ccC6=O))cO)ccc6O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,5,8-tetrahydroxy-2-methylanthracene-9,10-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Inchi Key | NFQXCHAJWVRYND-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cynodontin |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | Cynodontin |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| 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/C15H10O6/c1-5-4-8(18)11-12(13(5)19)15(21)10-7(17)3-2-6(16)9(10)14(11)20/h2-4,16-19H,1H3 |
| Smiles | CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)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 Rhamnus Wightii (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172363093; ISBN:9788185042145