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IMPPAT Phytochemical information:
6,10-Dimethyl-3-(1-methylethylidene)-1-cyclodecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016475
Phytochemical name:
6,10-Dimethyl-3-(1-methylethylidene)-1-cyclodecene
Synonymous chemical names:
6,10-dimethyl-3-(1-methyl-ethylidene)-1-cyclodecene
External chemical identifiers:
CID:556401
Chemical structure information
SMILES:
CC1CCCC(C)C=CC(=C(C)C)CC1
InChI:
InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h8,10,13-14H,5-7,9,11H2,1-4H3
InChIKey:
VZIPPMUKQPXUCG-UHFFFAOYSA-N
DeepSMILES:
CCCCCCC)C=CC=CC)C))CC%10
Functional groups:
CC=CC(C)=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1C=CCCCCCCC1
Scaffold Graph/Node level:
CC1CCCCCCCCC1
Scaffold Graph level:
CC1CCCCCCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Sesquiterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Sesquiterpenoids
NP Classifier Class:
Germacrane sesquiterpenoids
NP-Likeness score:
1.435
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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