Details of the Drug

General Information of Drug (ID: DMY13UR)

Drug Name

Kushenol N

Synonyms

NSC668937; Kushenol N; 2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-8-(2-isopropenyl-5-methyl-4-hexenyl)-5-methoxy-2,3-dihydro-4H-chromen-4-one; 102490-65-3; 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(2R,3S)-; ACMC-20bulp; AC1Q6KJK; AC1L8I5S; CTK4A1130; DTXSID50327597; NSC-668937; NCI60_024046; 2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)-5-methoxy-chroman-4-one

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

454.5

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C26H30O7
IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)C(C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
InChI: InChI=1S/C26H30O7/c1-13(2)6-7-15(14(3)4)10-18-20(29)12-21(32-5)22-23(30)24(31)26(33-25(18)22)17-9-8-16(27)11-19(17)28/h6,8-9,11-12,15,24,26-29,31H,3,7,10H2,1-2,4-5H3
InChIKey: QKEDJCCCNZWOBS-UHFFFAOYSA-N