IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Ethylidene diacetate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016158
Phytochemical name:
Ethylidene diacetate
Synonymous chemical names:
1,1-ethandiol,diacetate, ethylidene diacetate
External chemical identifiers:
CID:222536
,
ChEMBL:CHEMBL3187663
,
ZINC:ZINC000001648271
,
FDASRS:KL1S8V6W25
,
SureChEMBL:SCHEMBL987906
,
MolPort-001-783-239
Chemical structure information
SMILES:
CC(OC(=O)C)OC(=O)C
InChI:
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
InChIKey:
ACKALUBLCWJVNB-UHFFFAOYSA-N
DeepSMILES:
CCOC=O)C)))OC=O)C
Functional groups:
CC(=O)OC(C)OC(C)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Carboxylic acids and derivatives
ClassyFire Subclass:
Carboxylic acid derivatives
NP-Likeness score:
0.698
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top