IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Pentadecenol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013332
Phytochemical name:
Pentadecenol
Synonymous chemical names:
pentadecenol
External chemical identifiers:
CID:22340683
,
SureChEMBL:SCHEMBL129257
Chemical structure information
SMILES:
CCCCCCCCCCCCC/C=C/O
InChI:
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h14-16H,2-13H2,1H3/b15-14+
InChIKey:
DQHMTJSDCRBKNQ-CCEZHUSRSA-N
DeepSMILES:
CCCCCCCCCCCCC/C=C/O
Functional groups:
C/C=C/O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Enols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
0.964
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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