IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Decene, (E)-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017399
Phytochemical name:
2-Decene, (E)-
Synonymous chemical names:
2-decene
External chemical identifiers:
CID:5364559
,
ZINC:ZINC000001680049
,
SureChEMBL:SCHEMBL55676
Chemical structure information
SMILES:
CCCCCCC/C=C/C
InChI:
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+
InChIKey:
YKNMBTZOEVIJCM-HWKANZROSA-N
DeepSMILES:
CCCCCCC/C=C/C
Functional groups:
C/C=C/C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Unsaturated aliphatic hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
1.606
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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