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IMPPAT Phytochemical information:
cis-Dihydroocimene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012851
Phytochemical name:
cis-Dihydroocimene
Synonymous chemical names:
cis-dihydroocimene
External chemical identifiers:
CID:5463452
,
SureChEMBL:SCHEMBL16414038
Chemical structure information
SMILES:
C=C/C(=CCCC(C)C)/C
InChI:
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,8-9H,1,6-7H2,2-4H3/b10-8-
InChIKey:
WUIFRGYQELQKDN-NTMALXAHSA-N
DeepSMILES:
C=C/C=CCCCC)C)))))/C
Functional groups:
C=C/C(C)=CC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Branched unsaturated hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids, Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids
NP-Likeness score:
2.528
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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