Compound MYC

Canonical SMILES:

Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O

IUPAC name:

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

InChi:

InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

SMARTS:

[#8]-[#6]1:[#6]:[#6](-[#8]):[#6]2:[#6](=[#8]):[#6](:[#6](:[#8]:[#6]:2:[#6]:1)-[#6]1:[#6]:[#6](-[#8]):[#6](-[#8]):[#6](-[#8]):[#6]:1)-[#8]

Lipinski's RO5	Veber	Pfizer's 3/75

PDB code	Deposition date	Reference publication
5xi1	April 25, 2017	Khan Eshan, Tawani Arpita, Mishra Subodh Kumar, Verma Arun Kumar, Upadhyay Arun, Kumar Mohit, Sandhir Rajat, Mishra Amit, Kumar Amit. 2018. Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington’s Disease (HD) and Spino Cerebellar Ataxia (SCAs) ACS Chemical Biology
5xi1	April 25, 2017	Khan Eshan, Tawani Arpita, Mishra Subodh Kumar, Verma Arun Kumar, Upadhyay Arun, Kumar Mohit, Sandhir Rajat, Mishra Amit, Kumar Amit. 2018. Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington’s Disease (HD) and Spino Cerebellar Ataxia (SCAs) ACS Chemical Biology

Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
MW	≤ 500 g/mol	-	-
AlogP	≤ 5	-	≤ 3
HBA	≤ 10	-	-
HBD	≤ 5	-	-
(HBA + HBD)	-	≤ 12	-
TPSA	-	≤ 140 Å²	≥ 75 Å²
RB	-	≤ 10	-

HARIBOSS