alvespimycin (Q4552287)

alvespimycin (English)

[(4E,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

carbamic acid [(3R,5S,6R,7S,10S,11S)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈N₄O₈

1 reference

alvespimycin (English)

19 October 2016

canonical SMILES

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC

1 reference

alvespimycin (English)

19 October 2016

isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC

1 reference

Hypoxia-inducible factor-1 and nuclear factor-kappaB inhibitory meroterpene analogues of bakuchiol, a constituent of the seeds of Psoralea corylifolia.

alvespimycin (English)

19 October 2016

1 reference

Cullen corylifolium

1 reference

Hypoxia-inducible factor-1 and nuclear factor-kappaB inhibitory meroterpene analogues of bakuchiol, a constituent of the seeds of Psoralea corylifolia.

Trichosanthes kirilowii

1 reference

An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.

Morus

1 reference

Hypoxia-inducible factor-1 inhibitory benzofurans and chalcone-derived diels-alder adducts from Morus species.

Identifiers

InChI

InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

1 reference

alvespimycin (English)

19 October 2016

2 references

alvespimycin (English)

19 October 2016

ChEBI release 2020-09-01

2 references

alvespimycin (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=467214-20-6

10 April 2021

1 reference

17-Dimethylaminoethylamino-17-demethoxygeldanamycin (English)

19 October 2016

1 reference

alvespimycin (English)

19 October 2016

Reaxys registry number

9890433

1 reference

alvespimycin (English)

19 October 2016

ChEBI ID

65324

mapping relation type

2 references

alvespimycin (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

1 reference

ALVESPIMYCIN (English)

19 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID301391386

0 references

Guide to Pharmacology Ligand ID

9828

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

0 references

1 reference

UNII

001L2FE0M3

2 references

Global Substance Registration System

UNII

001L2FE0M3

alvespimycin (English)

19 October 2016

0 references

0 references

1 reference

28 October 2013

1 reference

1OSF (English)