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Flaccidin

PubChem CID: 14235431

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Compound Synonyms Flaccidin, 115531-76-5, QEA53176, AKOS040763191, F92888
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CCC3CCCC4CCC(C1)C2C34
Np Classifier Class Phenanthrenes
Deep Smiles COcccCCcc-c6cc%10O))COc6ccc%10)O
Heavy Atom Count 20.0
Classyfire Class Phenanthrenes and derivatives
Scaffold Graph Node Level C1CC2CCC3CCCC4OCC(C1)C2C34
Isotope Atom Count 0.0
Molecular Complexity 373.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-5,13-diol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 2.6
Gsk 4 400 Rule True
Molecular Formula C16H14O4
Scaffold Graph Node Bond Level c1cc2c3c(c1)COc1cccc(c1-3)CC2
Prediction Swissadme 0.0
Inchi Key WOGDWPQSZQNQRT-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.25
Logs -4.205
Rotatable Bond Count 1.0
Logd 2.788
Synonyms flaccidin
Esol Class Soluble
Functional Groups cO, cOC
Compound Name Flaccidin
Prediction Hob Swissadme 0.0
Exact Mass 270.089
Formal Charge 0.0
Monoisotopic Mass 270.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 270.28
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.5632607999999997
Inchi InChI=1S/C16H14O4/c1-19-13-5-9-3-2-8-4-10(17)6-12-15(8)14(9)11(7-20-12)16(13)18/h4-6,17-18H,2-3,7H2,1H3
Smiles COC1=C(C2=C3C(=C1)CCC4=C3C(=CC(=C4)O)OC2)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Phenanthrenoids