Details of the Drug

General Information of Drug (ID: DM8Q6I0)

Drug Name

(-)-cubebininolide

Synonyms

(-)-cubebininolide; CHEMBL479314; Cordigerin; (-)-Cordigerine; (-)-Cubebininolide; VUNCHONBJWJYID-DLBZAZTESA-N; BDBM50259868; (3R,4R)-3,4-bis(3,4,5-Trimethoxybenzyl)dihydrofuran-2(3H)-one; 2(3H)-Furanone, dihydro-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]-, (3R-trans)-; 2(3H)-Furanone, dihydro-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-

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): 0

Molecular Weight (mw)

446.5

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C24H30O8
IUPAC Name: (3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3/t16-,17+/m0/s1
InChIKey: VUNCHONBJWJYID-DLBZAZTESA-N