IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Lyratol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY006426
Phytochemical name:
Lyratol
Synonymous chemical names:
lyratol
External chemical identifiers:
CID:5462982
,
SureChEMBL:SCHEMBL7939735
Chemical structure information
SMILES:
C=CC(C(=C)C)/C=C(/CO)C
InChI:
InChI=1S/C10H16O/c1-5-10(8(2)3)6-9(4)7-11/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+
InChIKey:
NHJXCMQPMLBAMK-RMKNXTFCSA-N
DeepSMILES:
C=CCC=C)C))/C=C/CO))C
Functional groups:
C/C=C(/C)C, C=C(C)C, C=CC, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids
NP-Likeness score:
2.067
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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