IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Spermidine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY000291
Phytochemical name:
Spermidine
Synonymous chemical names:
spermidine
External chemical identifiers:
CID:1102
,
ChEMBL:CHEMBL19612
,
ChEBI:16610
,
ZINC:ZINC000001532612
,
FDASRS:U87FK77H25
,
SureChEMBL:SCHEMBL15618
,
MolPort-001-761-230
Chemical structure information
SMILES:
NCCCNCCCCN
InChI:
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey:
ATHGHQPFGPMSJY-UHFFFAOYSA-N
DeepSMILES:
NCCCNCCCCN
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:
0.215
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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