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IMPPAT Phytochemical information:
Dihydroocimene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017044
Phytochemical name:
Dihydroocimene
Synonymous chemical names:
dihydrocimene
External chemical identifiers:
CID:129640025
,
SureChEMBL:SCHEMBL3877665
Chemical structure information
SMILES:
CCC(/C=C/C=C(C)C)C
InChI:
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h6-8,10H,5H2,1-4H3/b8-6+
InChIKey:
YDPXEIXLONTGCJ-SOFGYWHQSA-N
DeepSMILES:
CCC/C=C/C=CC)C)))))C
Functional groups:
C/C=C/C=C(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Branched unsaturated hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
2.74
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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