IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Sym-homospermidine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY003165
Phytochemical name:
Sym-homospermidine
Synonymous chemical names:
homospermidine
External chemical identifiers:
CID:368
,
ChEMBL:CHEMBL36119
,
ChEBI:16554
,
ZINC:ZINC000001530408
,
FDASRS:0IJ25X1H4R
,
SureChEMBL:SCHEMBL138047
Chemical structure information
SMILES:
NCCCCNCCCCN
InChI:
InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
InChIKey:
UODZHRGDSPLRMD-UHFFFAOYSA-N
DeepSMILES:
NCCCCNCCCCN
Functional groups:
CN, CNC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Polyamines
NP-Likeness score:
0.151
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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