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.

(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone

PubChem CID: 6453244

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

Compound Synonyms 55743-21-0, (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone, EINECS 259-785-5, CHEBI:70663, (+/-)-Cryptostrobin, (2S)-8-methylpinocembrin, CHEMBL1269161, (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one, CRYPTOSTROBIN(P), 8-methylpinocembrin, 5,7-Dihydroxy-8-methylflavanone, DTXSID10204294, QSRIZZQWNHKERT-AWEZNQCLSA-N, BDBM50482879, AKOS040740307, FD65568, (2S)-5,7-dihydroxy-8-methylflavanone, NS00033379, AK-693/40760141, Q27138995, (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 363.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id B4URF0
Iupac Name (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C16H14O4
Prediction Swissadme 0.0
Inchi Key QSRIZZQWNHKERT-AWEZNQCLSA-N
Fcsp3 0.1875
Logs -3.747
Rotatable Bond Count 1.0
Logd 3.078
Compound Name (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone
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
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.8530608
Inchi InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Smiles CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0