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oleiferin C

PubChem CID: 9974649

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Compound Synonyms oleiferin C, CHEMBL428082
Topological Polar Surface Area 57.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 444.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,2S,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-1-ol
Prediction Hob 1.0
Xlogp 4.2
Molecular Formula C20H22O5
Prediction Swissadme 1.0
Inchi Key SDXLCXZRXWWAGW-MTJIALIYSA-N
Fcsp3 0.4
Logs -5.514
Rotatable Bond Count 5.0
Logd 3.974
Compound Name oleiferin C
Prediction Hob Swissadme 1.0
Exact Mass 342.147
Formal Charge 0.0
Monoisotopic Mass 342.147
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 342.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -4.659224200000001
Inchi InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3/t12-,13+,20-/m1/s1
Smiles C[C@H](CC1=CC2=C(C=C1)OCO2)[C@H](C)[C@H](C3=CC4=C(C=C3)OCO4)O
Nring 4.0
Defined Bond Stereocenter Count 0.0