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Dihydrofurospongin-2

PubChem CID: 10381863

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Compound Synonyms Dihydrofurospongin-2, CHEBI:67725, (E,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one, Dihydrofurospongin 2, 35671-22-8, CHEMBL1802228, Q27136198, (S,E)-1,11-Bis(3-furyl)-4,8-dimethyl-3-undecen-6-one
Prediction Swissadme 0.0
Topological Polar Surface Area 43.4
Hydrogen Bond Donor Count 0.0
Inchi Key DARLMVMUSMRSIS-HQCRTTESSA-N
Fcsp3 0.4761904761904761
Rotatable Bond Count 11.0
Heavy Atom Count 24.0
Compound Name Dihydrofurospongin-2
Prediction Hob Swissadme 0.0
Exact Mass 328.204
Formal Charge 0.0
Monoisotopic Mass 328.204
Isotope Atom Count 0.0
Molecular Complexity 402.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 328.4
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 1.0
Iupac Name (E,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Prediction Hob 0.0
Esol -4.797735733333334
Inchi InChI=1S/C21H28O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-/m0/s1
Smiles C[C@@H](CCCC1=COC=C1)CC(=O)C/C(=C/CCC2=COC=C2)/C
Xlogp 5.3
Defined Bond Stereocenter Count 1.0
Molecular Formula C21H28O3