Details of the Drug

General Information of Drug (ID: DMBAX2L)

Drug Name

1,2-Diacetoxylycorine

Synonyms

1,2-Diacetoxylycorine; 1,2-Diacetyllycorine; CHEMBL465295; Lycorin diacetate; LYCORINE DIACETATE; 1,2-Di-O-acetyllycorine; SCHEMBL12319317; BDBM50293602; (1S,17S,18S,19S)-17-(acetyloxy)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl acetate

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)

371.4

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H21NO6
IUPAC Name: [(1S,17S,18S,19S)-18-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl] acetate
Canonical SMILES: CC(=O)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1OC(=O)C)C4=CC5=C(C=C4C3)OCO5
InChI: InChI=1S/C20H21NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h5-7,17-20H,3-4,8-9H2,1-2H3/t17-,18-,19+,20+/m0/s1
InChIKey: LMZHAKUXAHOCST-VNTMZGSJSA-N