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Epiguaidiol A

PubChem CID: 71719409

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Compound Synonyms Epiguaidiol A, CHEMBL2332429, (1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
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 (1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C15H26O2
Prediction Swissadme 1.0
Inchi Key RQHOQQOEZPFYTD-LXFSFDBISA-N
Fcsp3 0.8666666666666667
Logs -3.039
Rotatable Bond Count 1.0
Logd 2.832
Compound Name Epiguaidiol A
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 -2.9718001999999997
Inchi InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1
Smiles CC(=C)[C@H]1CC[C@@]([C@H]2CC[C@]([C@H]2C1)(C)O)(C)O
Nring 2.0
Defined Bond Stereocenter Count 0.0