IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(5Z,7Z)-dodeca-5,7-diene
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID018284
Phytochemical name:
(5Z,7Z)-dodeca-5,7-diene
Synonymous chemical names:
(5Z,7Z)-dodeca-5,7-diene
External chemical identifiers:
CID:CID_5358322
Chemical structure information
SMILES:
CCCC/C=C\C=C/CCCC
InChI:
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9-,12-10-
InChIKey:
ZARLDNIZTZBEDV-HWAYABPNSA-N
DeepSMILES:
CCCC/C=C\C=C/CCCC
Functional groups:
C/C=C\C=C/C
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:
1.306
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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