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.

(2r)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one

PubChem CID: 10185

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

Compound Synonyms (2r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one, (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one, SCHEMBL7628142, CHEMBL1492383, NCGC00163631-01
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 5.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Dihydroflavonols
Deep Smiles OcccO[C@H]cccccc6)O))O)))))CC=O)c6cc%10)O))))O
Heavy Atom Count 22.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass Flavans
Isotope Atom Count 0.0
Molecular Complexity 428.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q03164, P46063, P02791, Q9UBT6, P27695
Iupac Name (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT47
Xlogp 1.5
Gsk 4 400 Rule True
Molecular Formula C15H12O7
Scaffold Graph Node Bond Level O=C1CC(c2ccccc2)Oc2ccccc21
Prediction Swissadme 0.0
Inchi Key CXQWRCVTCMQVQX-YSSOQSIOSA-N
Silicos It Class Soluble
Fcsp3 0.1333333333333333
Logs -2.662
Rotatable Bond Count 1.0
Logd -0.142
Synonyms (+)-taxifolin, (+)taxifolin
Esol Class Soluble
Functional Groups CO, cC(C)=O, cO, cOC
Compound Name (2r)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 304.058
Formal Charge 0.0
Monoisotopic Mass 304.058
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 304.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.662511163636364
Inchi InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14?,15-/m1/s1
Smiles C1=CC(=C(C=C1[C@@H]2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Flavonoids