IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
7,11-Dimethylheptadecane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016484
Phytochemical name:
7,11-Dimethylheptadecane
Synonymous chemical names:
7,11-dimethylheptadecane
External chemical identifiers:
CID:6430044
,
SureChEMBL:SCHEMBL6063770
Chemical structure information
SMILES:
CCCCCCC(CCCC(CCCCCC)C)C
InChI:
InChI=1S/C19H40/c1-5-7-9-11-14-18(3)16-13-17-19(4)15-12-10-8-6-2/h18-19H,5-17H2,1-4H3
InChIKey:
GGYJTGMZQZYIOE-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCC))))))C)))))C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Saturated hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.59
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top