(R)-6-methyl-3,4-dihydro-3,8,9-trihydroxyanthracen-1(2h)-one
PubChem CID: 90474067
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| Compound Synonyms | DB-300038, (R)-6-methyl-3,4-dihydro-3,8,9-trihydroxyanthracen-1(2h)-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2CC3CCCCC3CC12 |
| Deep Smiles | O[C@H]CC=O)ccC6)cccc6O))cO)ccc6)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1CCCC2CC3CCCCC3CC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,8,9-trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14O4 |
| Scaffold Graph Node Bond Level | O=C1CCCc2cc3ccccc3cc21 |
| Inchi Key | JNQGXIWEBUFDSA-SNVBAGLBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | germichrysone |
| Esol Class | Soluble |
| Functional Groups | CO, cC(C)=O, cO |
| Compound Name | (R)-6-methyl-3,4-dihydro-3,8,9-trihydroxyanthracen-1(2h)-one |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H14O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-4,10,16-17,19H,5-6H2,1H3/t10-/m1/s1 |
| Smiles | CC1=CC2=CC3=C(C(=O)C[C@@H](C3)O)C(=C2C(=C1)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
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FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference:ISBN:9788172362089