IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Decen-1-ol, (Z)-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016000
Phytochemical name:
2-Decen-1-ol, (Z)-
Synonymous chemical names:
(z)-2-decen-1-ol, (z)-2-decenol
External chemical identifiers:
CID:5364953
,
ZINC:ZINC000085432450
,
SureChEMBL:SCHEMBL3491409
Chemical structure information
SMILES:
CCCCCCC/C=CCO
InChI:
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3/b9-8-
InChIKey:
QOPYYRPCXHTOQZ-HJWRWDBZSA-N
DeepSMILES:
CCCCCCC/C=CCO
Functional groups:
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:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.999
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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