IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-Non-2-en-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016001
Phytochemical name:
(Z)-Non-2-en-1-ol
Synonymous chemical names:
(z)-2-nonen-1-ol
External chemical identifiers:
CID:5365027
,
ZINC:ZINC000051943844
,
FDASRS:JLW774VC2R
,
SureChEMBL:SCHEMBL184656
,
MolPort-003-960-106
Chemical structure information
SMILES:
CCCCCC/C=CCO
InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7-
InChIKey:
NSSALFVIQPAIQK-FPLPWBNLSA-N
DeepSMILES:
CCCCCC/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:
2.199
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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