IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-heptadec-8-ene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010704
Phytochemical name:
(Z)-heptadec-8-ene
Synonymous chemical names:
(z)-8-heptadecene, cis-8-heptadecene
External chemical identifiers:
CID:5352243
,
ChEBI:169689
,
ZINC:ZINC000100166250
,
SureChEMBL:SCHEMBL387719
Chemical structure information
SMILES:
CCCCCCCC/C=CCCCCCCC
InChI:
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15,17H,3-14,16H2,1-2H3/b17-15-
InChIKey:
BIQKRILZMDQPHI-ICFOKQHNSA-N
DeepSMILES:
CCCCCCCC/C=CCCCCCCC
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:
0.759
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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