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Prenyletin

PubChem CID: 3873459

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Compound Synonyms PRENYLETIN, 15870-91-4, 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one, 6-Hydroxy-7-(isopentenyloxy)-2H-1-benzopyran-2-one, KBio2_003658, Spectrum_000610, SpecPlus_000123, Spectrum2_000250, Spectrum3_000034, Spectrum4_001315, Spectrum5_000129, BSPBio_001727, KBioGR_001749, KBioSS_001090, SPECTRUM100101, DivK1c_006219, SPBio_000040, CHEMBL607536, SCHEMBL12062090, KBio1_001163, KBio2_001090, KBio2_006226, KBio3_000867, DTXSID101347414, CCG-39811, HY-N11767, SDCCGMLS-0066355.P001, NCGC00095380-01, NCGC00095380-02, DA-49933, TS-10251, CS-0834513, SR-05000002493, SR-05000002493-1, BRD-K81750404-001-02-5, BRD-K81750404-001-03-3, 6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one
Topological Polar Surface Area 55.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 368.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id B2RXH2, P55210, P00352, P28482, P15428, P29466, P08684, Q9UBT6, Q9NUW8, Q9Y6L6, Q9NPD5, P27695
Iupac Name 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one
Prediction Hob 1.0
Target Id NPT48, NPT1226, NPT94, NPT282, NPT151, NPT277, NPT109
Xlogp 3.0
Molecular Formula C14H14O4
Prediction Swissadme 0.0
Inchi Key AWEFUQDNSBBNCR-UHFFFAOYSA-N
Fcsp3 0.2142857142857142
Logs -3.151
Rotatable Bond Count 3.0
Logd 2.862
Compound Name Prenyletin
Prediction Hob Swissadme 0.0
Exact Mass 246.089
Formal Charge 0.0
Monoisotopic Mass 246.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 246.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.417835511111111
Inchi InChI=1S/C14H14O4/c1-9(2)5-6-17-13-8-12-10(7-11(13)15)3-4-14(16)18-12/h3-5,7-8,15H,6H2,1-2H3
Smiles CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0