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Methylripariochromene A

PubChem CID: 177148

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Compound Synonyms Methylripariochromene A, 20819-46-9, AC1L42KK, CTK1A2667, 1-(7,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanone, SureCN5470717, SCHEMBL5470717, DTXSID80174930, C09015
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCCC2C1
Np Classifier Class Merohemiterpenoids
Deep Smiles COccOCC)C)C=Cc6ccc%10OC)))C=O)C
Heavy Atom Count 19.0
Classyfire Class Benzopyrans
Scaffold Graph Node Level C1CCC2OCCCC2C1
Classyfire Subclass 1-benzopyrans
Isotope Atom Count 0.0
Molecular Complexity 374.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(7,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.5
Gsk 4 400 Rule True
Molecular Formula C15H18O4
Scaffold Graph Node Bond Level C1=Cc2ccccc2OC1
Prediction Swissadme 1.0
Inchi Key AVQQLPJWGXTKFZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.4
Logs -4.165
Rotatable Bond Count 3.0
Logd 2.293
Synonyms methylripariochromene a, methylripariochromene a (6-acetyl-7,8-dimethoxy-2,2-dimethychromene)
Esol Class Soluble
Functional Groups cC(C)=O, cC=CC, cOC
Compound Name Methylripariochromene A
Prediction Hob Swissadme 1.0
Exact Mass 262.121
Formal Charge 0.0
Monoisotopic Mass 262.121
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 262.3
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
Esol -3.0580752105263156
Inchi InChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3
Smiles CC(=O)C1=C(C(=C2C(=C1)C=CC(O2)(C)C)OC)OC
Nring 4.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Meroterpenoids