IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
IMPPAT-KG
STATISTICS
ACKNOWLEDGEMENT
DOWNLOAD
HELP
IMPPAT Phytochemical information:
2-Methyl 6-methylene 2-octene
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Patents
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID018125
Phytochemical name:
2-Methyl 6-methylene 2-octene
Synonymous chemical names:
2-Methyl 6-methylene 2-octene
External chemical identifiers:
CID:CID_517740
Chemical structure information
SMILES:
CCC(=C)CCC=C(C)C
InChI:
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h7H,4-6,8H2,1-3H3
InChIKey:
URHLAZIFTACBJA-UHFFFAOYSA-N
DeepSMILES:
CCC=C)CCC=CC)C
Functional groups:
C=C(C)C, CC=C(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Fatty acids, Terpenoids
NP Classifier Superclass:
Fatty acyls, Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids, Hydrocarbons
NP-Likeness score:
2.393
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top