IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-2-Decenal
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY003914
Phytochemical name:
(Z)-2-Decenal
Synonymous chemical names:
(z )-2-decenal, (z)-2-decenal, 2-decenal (z), cis-2-decenal, z-2-decenal
External chemical identifiers:
CID:5354834
,
ZINC:ZINC000085617945
,
FDASRS:SLD7VH2N1Z
,
SureChEMBL:SCHEMBL3505408
Chemical structure information
SMILES:
CCCCCCC/C=CC=O
InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8-
InChIKey:
MMFCJPPRCYDLLZ-HJWRWDBZSA-N
DeepSMILES:
CCCCCCC/C=CC=O
Functional groups:
C/C=CC=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbonyl compounds
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty aldehydes
NP-Likeness score:
2.024
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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