Spermidine
PubChem CID: 1102
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| Compound Synonyms | spermidine, 124-20-9, 1,5,10-Triazadecane, 4-Azaoctamethylenediamine, Spermidin, N1-(3-Aminopropyl)butane-1,4-diamine, 4-Azaoctane-1,8-diamine, N-(3-aminopropyl)butane-1,4-diamine, N'-(3-aminopropyl)butane-1,4-diamine, 1,4-Butanediamine, N-(3-aminopropyl)-, 1,8-Diamino-4-azaoctane, N-(3-Aminopropyl)-1,4-butanediamine, 1,4-Butanediamine, N1-(3-aminopropyl)-, N-(3-Aminopropyl)-1,4-butane-diamine, 1,4-Diaminobutane, N-(3-aminopropyl)-, N-(3-Aminopropyl)-1,4-diaminobutane, BRN 1698591, Vmp7 antigen, AI3-26636, (4-aminobutyl)(3-aminopropyl)amine, EINECS 204-689-0, MFCD00008229, N-(4-Aminobutyl)-1,3-diaminopropane, UNII-U87FK77H25, N1-(3-Aminopropyl)-1,4-butanediamine, Aminopropylbutandiamine, CHEBI:16610, U87FK77H25, SPERMIDINE [MI], gp130 Signal transducer, N-(3-Aminopropyl)-4-aminobutylamine, N-(3-Aminopropyl)-1,4-diamino-butane, SPERMIDINE [WHO-DD], CHEMBL19612, DTXSID4036645, 4-04-00-01300 (Beilstein Handbook Reference), N-(gamma-aminopropyl)tetramethylenediamine, 133483-05-3, 133483-10-0, SPD, Spermidine hydrochloride, N(SUP 1)-(3-AMINOPROPYL)-1,4-BUTANEDIAMINE, NSC528399, N~1~-(3-azaniumylpropyl)butane-1,4-diaminium, 1pot, Spermidine (Standard), Spectrum_000005, Tocris-0959, Spectrum2_000874, Spectrum3_000977, Spectrum4_001101, Spectrum5_001561, Lopac-S-2501, SPERMIDINE [INCI], Biomol-NT_000212, bmse000116, bmse000951, bmse000955, Lopac0_001047, SCHEMBL15618, BSPBio_002613, KBioGR_001542, KBioSS_000345, DivK1c_001007, SPBio_000947, Spermidine, >=99% (GC), Spermidine, analytical standard, BPBio1_001276, GTPL2390, DTXCID2016645, HY-B1776R, KBio1_001007, KBio2_000345, KBio2_002913, KBio2_005481, KBio3_001833, NINDS_001007, HY-B1776, STR06606, BDBM50009353, s3569, AKOS006222987, CCG-205124, DB03566, FS11215, SDCCGMLS-0066822.P001, SDCCGSBI-0051017.P003, Spermidine phosphate (salt) hexahydrate, IDI1_001007, NCGC00015937-01, NCGC00015937-02, NCGC00015937-03, NCGC00015937-04, NCGC00015937-05, NCGC00015937-08, NCGC00024903-01, NCGC00024903-02, NCGC00024903-03, AC-33945, NCI60_004294, DB-026892, CS-0013804, NS00014635, C00315, D95527, propane, 1-amino-3-(3-aminopropylmethyl)amino-, Q418834, Spermidine, suitable for cell culture, BioReagent, BRD-K40438880-305-06-6, N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE, PA(34), 732A5665-46DA-4AD4-9009-FA0688CF6398, Spermidine, BioUltra, for molecular biology, >=99.5% (GC), Spermidine, BioReagent, for molecular biology, suitable for cell culture, >=98%, 1122077-27-3, SR0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 64.099 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Polyamines |
| Deep Smiles | NCCCNCCCCN |
| Heavy Atom Count | 10.0 |
| Pathway Kegg Map Id | map00270 |
| Classyfire Class | Organonitrogen compounds |
| Description | Alkaloid from Pennisetum americanum (pearl millet). Caffeoylspermidine is found in cereals and cereal products. |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 56.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P21673, P42765, P52788, P19623, P05165, Q13126, P50440, P19113, P11926, P54368 |
| Uniprot Id | P21673, P42765, Q6QHF9, Q16881, Q8NE62, Q9UI17, P52788, P19623, P49366, P05165, P49189, O75936, Q13126, P17707, P50440, Q93088, Q9UL12, P19113, P11926, Q9H015, O15245, Q9NWM0, Q9BSE5, Q9NVH6, Q9H2M3, Q8NCN5, P54368, A2VED4, Q6P1K2, n.a., P0DMN7, P48026, P14100, P00915, P00918, P07451, P22748, P35218, Q9Y2D0, P23280, P43166, Q16790, O43570, Q9D6N1, Q9ULX7, Q99N23, P16473, P42345, P16050, P40225, P08482, P11712, Q92830, Q96KQ7, O15296, Q96QE3, P05177, O89049, P58735, P27695, P27117, P09057, P11388, P0DTD1 |
| Iupac Name | N'-(3-aminopropyl)butane-1,4-diamine |
| Prediction Hob | 1.0 |
| Class | Amines |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Target Id | NPT947, NPT233, NPT1146, NPT1062, NPT1143, NPT1144, NPT1063, NPT955, NPT948, NPT949, NPT954, NPT210, NPT940, NPT792, NPT96, NPT212, NPT208 |
| Xlogp | -1.0 |
| Superclass | Organonitrogen compounds |
| Subclass | Secondary amines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H19N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATHGHQPFGPMSJY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.899 |
| Rotatable Bond Count | 7.0 |
| State | Liquid |
| Logd | -2.154 |
| Synonyms | Caffeoylspermidine, Feruloylspermidine, 1,4-Butanediamine, N-(3-aminopropyl)-, 1,4-Butanediamine, N1-(3-aminopropyl)-, 1,4-Diaminobutane, N-(3-aminopropyl)-, 1,5,10-Triazadecane, 1,8-Diamino-4-azaoctane, 4-Azaoctamethylenediamine, 4-Azaoctane-1,8-diamine, Aminopropylbutandiamine, N-(3-Aminopropyl)-1,4-butane-diamine, N-(3-Aminopropyl)-1,4-butanediamine, N-(3-Aminopropyl)-1,4-butanediamine, 9CI, N-(3-Aminopropyl)-1,4-diamino-butane, N-(3-Aminopropyl)-1,4-diaminobutane, N-(3-Aminopropyl)-4-aminobutylamine, N-(3-Aminopropyl)butane-1,4-diamine, N-(4-Aminobutyl)-1,3-diaminopropane, N-(gamma-Aminopropyl)tetramethylenediamine, SPD, Spermidin, spermidine |
| Substituent Name | Secondary aliphatic amine, Hydrocarbon derivative, Primary amine, Primary aliphatic amine, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CN, CNC |
| Compound Name | Spermidine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 145.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 145.158 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 145.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.35775000000000007 |
| Inchi | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 |
| Smiles | C(CCNCCCN)CN |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkylamines |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Deliciosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16664325 - 5. Outgoing r'ship
FOUND_INto/from Capparis Decidua (Plant) Rel Props:Reference:ISBN:9780387706375 - 6. Outgoing r'ship
FOUND_INto/from Capparis Masaikai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Crotalaria Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Heliotropium Indicum (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075 - 12. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Nectandra Pichurim (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 19. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 21. Outgoing r'ship
FOUND_INto/from Picea Abies (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19706648 - 22. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 23. Outgoing r'ship
FOUND_INto/from Pityrogramma Tartarea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Psophocarpus Tetragonolobus (Plant) Rel Props:Source_db:fooddb_chem_all - 25. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 26. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Trifolium Repens (Plant) Rel Props:Reference:ISBN:9788172363093 - 28. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all - 29. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:fooddb_chem_all - 30. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all - 31. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Source_db:fooddb_chem_all - 32. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all - 33. Outgoing r'ship
FOUND_INto/from Wisteria Floribunda (Plant) Rel Props:Reference:ISBN:9788172363093 - 34. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Reference:ISBN:9788172363093 - 35. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all