IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Propyl formate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015869
Phytochemical name:
Propyl formate
Synonymous chemical names:
n-propyl formate
External chemical identifiers:
CID:8073
,
ChEMBL:CHEMBL2270393
,
ChEBI:173323
,
ZINC:ZINC000002041068
,
FDASRS:WO1ARV6GTW
,
SureChEMBL:SCHEMBL18445
Chemical structure information
SMILES:
CCCOC=O
InChI:
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChIKey:
KFNNIILCVOLYIR-UHFFFAOYSA-N
DeepSMILES:
CCCOC=O
Functional groups:
COC=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 Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty esters
NP Classifier Class:
Wax monoesters
NP-Likeness score:
0.742
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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