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celastrol

Creu erthygl

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chemical compound

Adnoddau allanol

dynodwr Freebase
/m/0qsbzwh
UniChem compound ID
70880[1]
Reaxys registry number
2194425[2]
dynodwr HMDB
HMDB0002385[3][4]
Rhif Cofrestru CAS
34157-83-0[2][5]
PubChem CID
122724[6][4]
SureChEMBL ID
SCHEMBL14954[3][4]
DSSTOX compound identifier
DTXCID0020993
SPLASH
splash10-0btc-0019500000-f16bbb2265231439975e
splash10-05fr-0090500000-855c8d3ad1c355393f4c
splash10-002u-0090200000-782324d0169fb1581155
dynodwr Microsoft Academic
2777228702
ECHA Substance Infocard ID
100.164.266[7]
DSSTox substance ID
DTXSID2040993[8][4]
ChemSpider ID
109405[9]
EC number
636-472-5[7]
OpenAlex ID
C2777228702[10]
ChEMBL ID
CHEMBL301982[11]
ChEBI ID
63959[2][12]

mapping relation type: exact match

InChI
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1[6]
InChIKey
KQJSQWZMSAGSHN-JJWQIEBTSA-N[6][13]
dynodwr Llawlyfr Ffarmacoleg Ligand
10386[14]
Probes And Drugs ID
PD002171
UNII
L8GG98663L[15][4]

enghraifft o'r canlynol

math o endid cemegol

isddosbarth o'r canlynol

asid carbocsylig

adeiledd gemegol

màs

450.27701±0 uned Dalton[6]

stereoisomer of

(2R,4aR,6aS,6aR,14aR,14bS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid[16]

fformwla gemegol

C₂₉H₃₈O₄[6]

SMILES

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O[6]

isomeric SMILES

CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O[6]

found in taxon

Catha edulis[17][18]
Celastrws[19][20]
Tripterygium regelii[21][22][23]
Salacia kraussii[24]
Celastrus paniculatus[25]
Crossopetalum gaumeri[26]
Kokoona ochracea[27]
Kokoona zeylanica[28][29]
Maytenus amazonica[30]
Maytenus woodsonii[31]
Maytenus chubutensis[32]
Maytenus scutioides[33][34]
Orthosphenia mexicana[35][36]
Reissantia buchananii[37][38]
Kothala himbutu[39]
Monteverdia krukovii[40]
Celastrus hypoleucus[41][42]
Tricerma vitis-idaeum[43]
Hippocratea volubilis[44]
Maytenus canariensis[18]
Monteverdia macrocarpa[40]
Tripterygium hypoglaucum[45][46]
Maytenus umbellata[18]
Trichosanthes kirilowii[47]
Maytenus spinosa[34][33]
Tripterygium wilfordii[23][46][22][45][21][48][49][50][51][52][53][54]
Monteverdia truncata[55]
Monteverdia ilicifolia[55]
Peritassa campestris[55][56]
Monteverdia spinosa[33][34]

categori Comin

Celastrol

Cyfeiriadau

  1. ↑ UniChem
  2. ↑ 2.0 2.1 2.2 ChEBI, 7 Hydref 2016, Saesneg, celastrol, 63959
  3. ↑ 3.0 3.1 inferred from InChIKey
  4. ↑ 4.0 4.1 4.2 4.3 4.4 KQJSQWZMSAGSHN-JJWQIEBTSA-N, InChIKey
  5. ↑ CAS Common Chemistry, 10 Ebrill 2021, KQJSQWZMSAGSHN-JJWQIEBTSA-N, https://commonchemistry.cas.org/detail?cas_rn=34157-83-0
  6. ↑ 6.0 6.1 6.2 6.3 6.4 6.5 6.6 PubChem, 7 Hydref 2016, Saesneg, 122724, celastrol
  7. ↑ 7.0 7.1 ECHA Substance Infocard database, 27 Rhagfyr 2018, 100.164.266, (9β,13α,14β,20α)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, CAS no.: 34157-83-0
  8. ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  9. ↑ ChemSpider, 7 Hydref 2016, Saesneg, 109405, Celastrol
  10. ↑ OpenAlex, 26 Ionawr 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
  11. ↑ ChEMBL, 7 Hydref 2016, Saesneg, CELASTROL, CHEMBL301982
  12. ↑ International Chemical Identifier, InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
  13. ↑ ChEBI release 2020-09-01
  14. ↑ IUPHAR/BPS Guide to PHARMACOLOGY, 5 Chwefror 2021
  15. ↑ Global Substance Registration System, 7 Hydref 2016, Saesneg, CELASTROL, L8GG98663L
  16. ↑ inferred from InChI
  17. ↑ Steroidal alkaloids
  18. ↑ 18.0 18.1 18.2 Taxonomy and chemotaxonomy of some species of celastraceae
  19. ↑ Antiinflammatory constituents of Celastrus orbiculatus inhibit the NF-kappaB activation and NO production
  20. ↑ Terpenoids from root bark of Celastrus orbiculatus
  21. ↑ 21.0 21.1 Celastrol isolated from Tripterygium regelii induces apoptosis through both caspase-dependent and -independent pathways in human breast cancer cells.
  22. ↑ 22.0 22.1 Triterpenoids from Tripterygium wilfordii
  23. ↑ 23.0 23.1 SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii
  24. ↑ Novel quinone methides from Salacia kraussii with in vitro antimalarial activity
  25. ↑ Quinone-methide, phenolic and related triterpenoids of plants of Celastraceae: further evidence for the structure ofCelastranhydride
  26. ↑ Cytotoxic cardenolides and antibacterial terpenoids from Crossopetalum gaumeri
  27. ↑ Quinone-methide triterpenes and salaspermic acid from Kokoona ochracea
  28. ↑ Studies on terpenoids and steroids. Part 10. Structures of four new natural phenol is D:A-friedo-24-noroleanane triterpenoids
  29. ↑ Studies on terpenoids and steroids. Part 3. Structure and synthesis of a new phenolic D:A-friedo-24-noroleanane triterpenoid, zeylasterone, from kokoona zeylanica
  30. ↑ Structure of new bioactive triterpenes related to 22-β-hydroxy-tingenone
  31. ↑ New Phenolic and Quinone-methide Triterpenes fromMaytenusSpecies (Celastraceae)
  32. ↑ Triterpenoid and Phenolic Compounds from Two Chilean Celastraceae
  33. ↑ 33.0 33.1 33.2 Structure and absolute configuration of triterpene dimers from Maytenus scutioides
  34. ↑ 34.0 34.1 34.2 Scutione, a new bioactive norquinonemethide triterpene from Maytenus scutioides (Celastraceae)
  35. ↑ Crystal structure of orthosphenic acid
  36. ↑ Sesquiterpenes from Orthosphenia mexicana
  37. ↑ Antitumor Agents 228. Five New Agarofurans, Reissantins A-E, and Cytotoxic Principles from Reissantia buchananii
  38. ↑ Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
  39. ↑ Biogenetically important quinonemethides and other triterpenoid constituents of Salacia reticulata
  40. ↑ 40.0 40.1 Antimitotic quinoid triterpenes from Maytenus chuchuhuasca
  41. ↑ A New Nortriterpene from the Root of Celastrus hypoleucus
  42. ↑ Antifungal properties of pristimerin and celastrol isolated from Celastrus hypoleucus
  43. ↑ Antiproliferative terpenoids and alkaloids from the roots of Maytenus vitis-idaea and Maytenus spinosa
  44. ↑ Friedelanes and triterpenoid quinone methides from Hippocratea excelsa
  45. ↑ 45.0 45.1 Di- and triterpenoids from Tripterygium hypoglaucum
  46. ↑ 46.0 46.1 Terpenoids from Tripterigyum hypoglaucum
  47. ↑ An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.
  48. ↑ Terpenoids in transformed root culture of Tripterygium wilfordii
  49. ↑ D:A-friedo-24-noroleanane triterpenoids from Tripterigium wilfordii
  50. ↑ A diterpenoid and triterpenes from tissue cultures of Tripterygium wilfordii
  51. ↑ Terpenoids from Tripterygium wilfordii.
  52. ↑ Triterpenoid inhibitors of interleukin-1 secretion and tumour-promotion from Tripterygium wilfordii var. regelii
  53. ↑ Terpenoids from Tripterygium wilfordii
  54. ↑ Gambogic acid, a natural product inhibitor of Hsp90
  55. ↑ 55.0 55.1 55.2 Quantitative determination for cytotoxic Friedo-nor-oleanane derivatives from five morphological types of Maytenus ilicifolia (Celastraceae) by reverse-phase high-performance liquid chromatography.
  56. ↑ Biosynthesis of friedelane and quinonemethide triterpenoids is compartmentalized in Maytenus aquifolium and Salacia campestris
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