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Cyperusol C

PubChem CID: 11230158

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Compound Synonyms cyperusol C, CHEBI:69847, (1R,4R,4aR,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol, CHEMBL465340, SCHEMBL19714786, Q27138186, 682351-37-7
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 325.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P18031
Iupac Name (1R,4R,4aR,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C15H26O2
Prediction Swissadme 1.0
Inchi Key LGKGTMWCBFNQHP-KJWHEZOQSA-N
Fcsp3 0.8666666666666667
Logs -3.683
Rotatable Bond Count 1.0
Logd 2.455
Compound Name Cyperusol C
Prediction Hob Swissadme 1.0
Exact Mass 238.193
Formal Charge 0.0
Monoisotopic Mass 238.193
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 238.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.2175002
Inchi InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14-,15-/m1/s1
Smiles CC(=C)[C@@H]1CC[C@]2([C@@H](CC[C@@]([C@@H]2C1)(C)O)O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0