IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-1,5-Undecadiene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013354
Phytochemical name:
(Z)-1,5-Undecadiene
Synonymous chemical names:
1,5(z)-undecadiene
External chemical identifiers:
CID:24978162
Chemical structure information
SMILES:
CCCCC/C=CCCC=C
InChI:
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,9,11H,1,4-8,10H2,2H3/b11-9-
InChIKey:
RVJZHJPKLYEVOX-LUAWRHEFSA-N
DeepSMILES:
CCCCC/C=CCCC=C
Functional groups:
C/C=CC, C=CC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Olefins
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
1.733
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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