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Furanodienon

PubChem CID: 6442374

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Compound Synonyms Furanodienon, Furanodienone, 24268-41-5, 88010-63-3, (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one, (5Z,9Z)-3,6,10-Trimethyl-7,8-dihydrocyclodeca[b]furan-4(11H)-one, DH78SKJ88K, Cyclodeca[b]furan-4(7H)-one, 8,11-dihydro-3,6,10-trimethyl-, (Z,Z)-, UNII-DH78SKJ88K, CHEMBL509404, (5E,9E)-3,6,10-Trimethyl-7,8-dihydrocyclodeca[b]furan-4(11H)-one, XVOHELPNOXGRBQ-LXQMTTSMSA-N, HY-N12454, DA-53441, DA-63637, CS-0907017
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 30.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCCCCC2CCCC12
Np Classifier Class Germacrane sesquiterpenoids
Deep Smiles C/C=C/C=O)ccC/C=CCC%10)))/C)))occ5C
Heavy Atom Count 17.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCCCCCCC2OCCC12
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 365.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.9
Gsk 4 400 Rule True
Molecular Formula C15H18O2
Scaffold Graph Node Bond Level O=C1C=CCCC=CCc2occc21
Prediction Swissadme 0.0
Inchi Key XVOHELPNOXGRBQ-LXQMTTSMSA-N
Silicos It Class Moderately soluble
Fcsp3 0.4
Rotatable Bond Count 0.0
Synonyms furanodienone
Esol Class Soluble
Functional Groups C/C=C(C)C, cC(=O)/C=C(C)C, coc
Compound Name Furanodienon
Prediction Hob Swissadme 0.0
Exact Mass 230.131
Formal Charge 0.0
Monoisotopic Mass 230.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 230.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -3.3125504588235293
Inchi InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-
Smiles C/C/1=C/C(=O)C2=C(C/C(=C\CC1)/C)OC=C2C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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