IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
cis-3-Tridecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009804
Phytochemical name:
cis-3-Tridecene
Synonymous chemical names:
(z)-3-tridecene
External chemical identifiers:
CID:5362711
,
FDASRS:7RY0E2S0NR
Chemical structure information
SMILES:
CCCCCCCCC/C=CCC
InChI:
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7H,3-4,6,8-13H2,1-2H3/b7-5-
InChIKey:
OMBXNSHDJUALCV-ALCCZGGFSA-N
DeepSMILES:
CCCCCCCCC/C=CCC
Functional groups:
C/C=CC
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:
1.366
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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