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gamma-Calacorene

PubChem CID: 14038842

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Compound Synonyms gamma-Calacorene, 56F0GTV7MN, (-)-gamma-Calacorene, .gamma.-Calacorene, 24048-45-1, UNII-56F0GTV7MN, (1S)-1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene, (-)-.GAMMA.-CALACORENE, Naphthalene, 1,2-dihydro-1,6-dimethyl-4-(1-methylethyl)-, (1S)-, Q67879895
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCCC2C1
Np Classifier Class Cadinane sesquiterpenoids
Deep Smiles Ccccccc6)C=CC[C@@H]6C))))CC)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 249.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (1S)-1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.4
Gsk 4 400 Rule False
Molecular Formula C15H20
Scaffold Graph Node Bond Level C1=Cc2ccccc2CC1
Prediction Swissadme 0.0
Inchi Key YLIAZCIBLKJTKN-LBPRGKRZSA-N
Silicos It Class Moderately soluble
Fcsp3 0.4666666666666667
Logs -5.667
Rotatable Bond Count 1.0
Logd 4.468
Synonyms gamma-calacorene
Esol Class Moderately soluble
Functional Groups cC(C)=CC
Compound Name gamma-Calacorene
Prediction Hob Swissadme 0.0
Exact Mass 200.157
Formal Charge 0.0
Monoisotopic Mass 200.157
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 200.32
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.071415
Inchi InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1
Smiles C[C@H]1CC=C(C2=C1C=CC(=C2)C)C(C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids