Details of the Drug

General Information of Drug (ID: DMZOX43)

Drug Name

(2S)-2'-methoxy kurarinone

Synonyms

2'-Methoxykurarinone; (2S)-2'-methoxykurarinone; 270249-38-2; CHEMBL496451; CHEBI:66151; (2S)-2'-methoxy kurarinone; (2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone; MolPort-039-337-150; ZINC14711635; LMPK12140500; BDBM50377944; AKOS032962578; 7,4'-dihydroxy-5,2'-dimethoxy-8-lavandulylflavanone; 4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2S)-

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)

452.5

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C27H32O6
IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
InChI: InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1
InChIKey: KTAQQSUPNZAWEY-OSPHWJPCSA-N