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7-epi-alpha-Eudesmol

PubChem CID: 12304196

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Compound Synonyms 7-epi-alpha-Eudesmol, 123123-38-6, 7-epi-.alpha.-eudesmol, (-)-7-epi-alpha-Eudesmol, eudesmol,7-epi-alpha-eudesmol, CHEBI:138040, 2-[(2S,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol, 2-[(2S,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol, [2S-(2alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol, 2-((2S,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)propan-2-ol, (2S-(2alpha,4Abeta,8aalpha))-1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol, 7-epi-I+/--Eudesmol, SCHEMBL17627637, DTXSID501316841, C21689, Q67879648
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 C1CCC2CCCCC2C1
Np Classifier Class Eudesmane sesquiterpenoids
Deep Smiles CC=CCC[C@][C@H]6C[C@H]CC6))CO)C)C)))))C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 303.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name 2-[(2S,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.5
Gsk 4 400 Rule True
Molecular Formula C15H26O
Scaffold Graph Node Bond Level C1=CC2CCCCC2CC1
Inchi Key FCSRUSQUAVXUKK-KCQAQPDRSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms 7-epi-.alpha.-eudesmol, 7-epi-alpha-eudesmol, 7-epi-α-eudesmol, eudesmol (7-epi-α), eudesmol (7-epi-α-)
Esol Class Soluble
Functional Groups CC=C(C)C, CO
Compound Name 7-epi-alpha-Eudesmol
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
Smiles CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(C)(C)O)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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