Phyto4Health

Spermidine

Representations & DB's id

ChEBI: CHEBI:16610
ChEMBL: CHEMBL19612
PubChem: 1102
IUPAC: N'-(3-aminopropyl)butane-1,4-diamine
Standard InChI: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Standard InChI Key: ATHGHQPFGPMSJY-UHFFFAOYSA-N
SMILES: NCCCNCCCCN

Molecular propeties

AlogP: -0.34
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 3
Rotatable bonds: 7
Number of rings: 0
Molecular Weight: 145.16
Topological polar surface area: 64.1
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
RootPanax ginseng
RootPanax ginseng
PlantNicotiana tabacum
PlantNicotiana tabacum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki1400 nMCarbonic anhydrase IP00915
Ki1110 nMCarbonic anhydrase IIP00918
Ki11500 nMCarbonic anhydrase IIIP07451
Ki112 nMCarbonic anhydrase IVP22748
Ki1220 nMCarbonic anhydrase VAP35218
Ki1440 nMCarbonic anhydrase VBQ9Y2D0
Ki1410 nMCarbonic anhydrase VIP23280
Ki1230 nMCarbonic anhydrase VIIP43166
Ki1370 nMCarbonic anhydrase IXQ16790
Ki44100 nMCarbonic anhydrase XIIO43570
Ki1000 nMCarbonic anhydrase XIVQ9ULX7
Potency31622.8 nMThyroid stimulating hormone receptorP16473
Potency26121.6 nMSerine/threonine-protein kinase mTORP42345
Potency12589.3 nMArachidonate 15-lipoxygenaseP16050
Potency23280.9 nMSerine/threonine-protein kinase mTORP42345
Potency6309.6 nMThrombopoietinP40225
Potency12589.3 nMCytochrome P450 2C9P11712
Potency6309.6 nMThrombopoietinP40225
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency10621.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency12589.3 nMArachidonate 15-lipoxygenase, type IIO15296
Potency5011.9 nMArachidonate 15-lipoxygenase, type IIO15296
Potency2058.8 nMATPase family AAA domain-containing protein 5Q96QE3