This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

1,4,7-Trihydroxy-5-Methoxyfluoren-9-One

PubChem CID: 44418788

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 365545-85-3, DTXSID40658827, 1,4,7-trihydroxy-5-methoxy-9H-fluoren-9-one, 1,4,7-TRIHYDROXY-5-METHOXYFLUOREN-9-ONE, CHEMBL216941, DTXCID40609576
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1C2CCCCC2C2CCCCC12
Np Classifier Class Anthraquinones and anthrones
Deep Smiles COcccO)ccc6-ccO)cccc6C9=O)))O
Heavy Atom Count 19.0
Classyfire Class Fluorenes
Scaffold Graph Node Level OC1C2CCCCC2C2CCCCC12
Isotope Atom Count 0.0
Molecular Complexity 371.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,4,7-trihydroxy-5-methoxyfluoren-9-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 2.5
Gsk 4 400 Rule True
Molecular Formula C14H10O5
Scaffold Graph Node Bond Level O=C1c2ccccc2-c2ccccc21
Prediction Swissadme 0.0
Inchi Key QYZVZXXDXPZMHM-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0714285714285714
Logs -5.219
Rotatable Bond Count 1.0
Logd 2.518
Synonyms dendroflorin
Esol Class Soluble
Functional Groups cC(c)=O, cO, cOC
Compound Name 1,4,7-Trihydroxy-5-Methoxyfluoren-9-One
Prediction Hob Swissadme 0.0
Exact Mass 258.053
Formal Charge 0.0
Monoisotopic Mass 258.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 258.23
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 -3.4299882210526316
Inchi InChI=1S/C14H10O5/c1-19-10-5-6(15)4-7-11(10)12-8(16)2-3-9(17)13(12)14(7)18/h2-5,15-17H,1H3
Smiles COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Polycyclic aromatic polyketides