IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cosmene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY014092
Phytochemical name:
Cosmene
Synonymous chemical names:
cosmene
External chemical identifiers:
CID:5368451
,
ChEBI:90063
,
FDASRS:BB1XPU95WD
,
SureChEMBL:SCHEMBL190384
Chemical structure information
SMILES:
C=C/C(=C/C=C/C(=C)C)/C
InChI:
InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3/b7-6+,10-8+
InChIKey:
HPZWSJQQCJZBBG-LQPGMRSMSA-N
DeepSMILES:
C=C/C=C/C=C/C=C)C)))))/C
Functional groups:
C=C/C(C)=C/C=C/C(=C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Olefins
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids
NP-Likeness score:
2.799
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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