Details of the Drug

General Information of Drug (ID: DMO1I6G)

Drug Name

PHLOROFUCOFUROECKOL A

Synonyms

Phlorofucofuroeckol A; 128129-56-6; CHEMBL510508; phlorofucofuroeckol-A; Phlorofucofuroeckol; AC1L2YD4; 1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol; SCHEMBL2230693; DTXSID40155821; BDBM50276756; Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-; 4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol; 4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol

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): 3

Molecular Weight (mw)

602.5

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

9

Hydrogen Bond Acceptor Count (hbondacc)

14

Chemical Identifiers

Formula: C30H18O14
IUPAC Name: 4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
Canonical SMILES: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C3C5=C(C(=C4)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7)O)O)O)O)O)O)O
InChI: InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H
InChIKey: SLWPBUMYPRVYIJ-UHFFFAOYSA-N