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Pterosin Z

PubChem CID: 134977

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Compound Synonyms Pterosin Z, 34169-69-2, 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one, HQ 2, Hypolepin B, 2,3-Dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-, PterosinZ, CHEMBL567819, SCHEMBL1742692, DTXSID30955711, JBA16969, AKOS032948846, FS-9774, 6-(2-Hydroxyethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-inden-1-one
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CCCCC12
Np Classifier Class Illudalane sesquiterpenoids
Deep Smiles OCCccC)cccc6C))C=O)CC5)C)C
Heavy Atom Count 17.0
Classyfire Class Indanes
Scaffold Graph Node Level OC1CCC2CCCCC12
Classyfire Subclass Indanones
Isotope Atom Count 0.0
Molecular Complexity 308.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 2.9
Gsk 4 400 Rule True
Molecular Formula C15H20O2
Scaffold Graph Node Bond Level O=C1CCc2ccccc21
Prediction Swissadme 1.0
Inchi Key YKQBHPHKXJKKAB-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.5333333333333333
Logs -4.07
Rotatable Bond Count 2.0
Logd 2.749
Synonyms pterosin z
Esol Class Soluble
Functional Groups CO, cC(C)=O
Compound Name Pterosin Z
Prediction Hob Swissadme 1.0
Exact Mass 232.146
Formal Charge 0.0
Monoisotopic Mass 232.146
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 232.32
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 -3.2365790705882347
Inchi InChI=1S/C15H20O2/c1-9-7-11-8-15(3,4)14(17)13(11)10(2)12(9)5-6-16/h7,16H,5-6,8H2,1-4H3
Smiles CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)(C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids