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IMPPAT Phytochemical information:
gamma-Camphorene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015810
Phytochemical name:
gamma-Camphorene
Synonymous chemical names:
camphorene
, m-camphorene
External chemical identifiers:
CID:5315649
,
SureChEMBL:SCHEMBL11075112
Chemical structure information
SMILES:
CC(=CCCC1=CCCC(C1)C(=C)CCC=C(C)C)C
InChI:
InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3
InChIKey:
OIRFZVJHADZVMD-UHFFFAOYSA-N
DeepSMILES:
CC=CCCC=CCCCC6)C=C)CCC=CC)C))))))))))))))C
Functional groups:
C=C(C)C, CC=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCC1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Sesquiterpenoids
NP Classifier Class:
Bisabolane sesquiterpenoids
NP-Likeness score:
2.057
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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