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epi-Cubebol

PubChem CID: 91753433

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Compound Synonyms epi-Cubebol, (1S,4S,6S,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo(4.4.0.01,5)dec-8-en-4-ol, (1S,4S,6S,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-8-en-4-ol
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC23CCCC2C3C1
Np Classifier Class Guaiane sesquiterpenoids
Deep Smiles CC[C@H]C=C[C@@H][C@@][C@@H]6C3CC)O)CC6))))))C)))))C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC23CCCC2C3C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 345.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (1S,4S,6S,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-8-en-4-ol
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.3
Gsk 4 400 Rule True
Molecular Formula C15H24O
Scaffold Graph Node Bond Level C1=CCC23CCCC2C3C1
Inchi Key LMCRYOCEDDKMQA-RIENIYILSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms epi-cubebol, epi-cubebol ?, epicubebol
Esol Class Soluble
Functional Groups CC=CC, CO
Compound Name epi-Cubebol
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11+,12-,13?,14-,15-/m0/s1
Smiles C[C@H]1C=C[C@@H]([C@@H]2[C@@]13C2[C@@](CC3)(C)O)C(C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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