Details of the Drug

General Information of Drug (ID: DM19I62)

Drug Name

7-Phloroethol

Synonyms

7-Phloroeckol; 7-Phloroethol; UNII-97GCC12YF0; CHEMBL456228; 97GCC12YF0; CHEBI:65790; 4-(3,5-dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)oxanthrene-1,3,6-triol; 1-(3',5'-Dihydroxyphenoxy)-7-(2'',4'',6''-trihydroxyphenoxy)-2,4,9-trihydroxydibenzo-1,4-dioxin; 7-Phloroglucinoleckol; SCHEMBL10271928; BDBM50276826; 4-(3,5-Dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)dibenzo(b,E)(1,4)dioxin-1,3,6-triol; [(2,4,9-Trihydroxydibenzo-p-dioxin-1,7-diyl)dioxydibenzene]-2',3,4',5,6'-pentol; Dibenzo(b,E)(1,4)dioxin-1,3,6-triol, 4-(3,

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

496.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

8

Hydrogen Bond Acceptor Count (hbondacc)

12

Chemical Identifiers

Formula: C24H16O12
IUPAC Name: 4-(3,5-dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,3,6-triol
Canonical SMILES: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)OC5=C(C=C(C=C5O)O)O)O)O)O)O
InChI: InChI=1S/C24H16O12/c25-9-1-10(26)3-12(2-9)34-22-17(31)8-18(32)23-24(22)36-21-16(30)6-13(7-19(21)35-23)33-20-14(28)4-11(27)5-15(20)29/h1-8,25-32H
InChIKey: JLEVVQRBEATTCM-UHFFFAOYSA-N