Details of the Drug

General Information of Drug (ID: DMT5SED)

Drug Name

CORDOIN

Synonyms

Cordoin; Derricidin; trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one; 2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-; 38965-74-1; substituted chalcone, 5a; AC1NZGI9; AC1Q5EJC; CHEMBL450771; SCHEMBL18265486; BDBM29137; 51619-65-9; 2'-Hydroxy-4'-(prenyloxy)chalcone; NSC270894; LMPK12120040; NSC-270894; 1-{2-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-phenylprop-2-en-1-one; LS-123926; J3.608.736F

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): 1

Molecular Weight (mw)

308.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H20O3
IUPAC Name: (E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
Canonical SMILES: CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O)C
InChI: InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+
InChIKey: DGUGLZYULGVSIZ-DHZHZOJOSA-N