(Q8066579)

squalestatin 1 (English)

19 October 2016

chemical formula

C₃₅H₄₆O₁₄

1 reference

squalestatin 1 (English)

20 November 2016

canonical SMILES

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O

1 reference

squalestatin 1 (English)

20 November 2016

isomeric SMILES

CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O

1 reference

The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. III. Biosynthesis

squalestatin 1 (English)

20 November 2016

3 references

The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. IV. Preparation of fluorinated squalestatins by directed biosynthesis

The preparation of zaragozic acid A analogues by directed biosynthesis

Exserohilum khartoumense

1 reference

Competitive inhibition of squalene synthetase by squalestatin 1

Sporormiella intermedia

2 references

Isolation, structure determination and squalene synthase activity of L-731,120 and L-731,128, alkyl citrate analogs of zaragozic acids A and B

The zaragozic acids: Structure elucidation of a new class of squalene synthase inhibitors

physically interacts with

Farnesyl-diphosphate farnesyltransferase 1

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3057

17 August 2016

1 reference

MeSH descriptor ID

C075117

15 March 2018

anticholesteremic agents

1 reference

15 March 2018

1 reference

InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1

15 March 2018

Zaragozic acid

0 references

Identifiers

InChI

1 reference

squalestatin 1 (English)

20 November 2016

2 references

squalestatin 1 (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

142561-96-4

2 references

Global Substance Registration System

UNII

1117HVX02L

zaragozic acid a (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=142561-96-4

8 April 2021

1 reference

zaragozic acid A (English)

20 November 2016

2 references

squalestatin 1 (English)

20 November 2016

Reaxys registry number

5848265

1 reference

zaragozic acid A (English)

19 October 2016

ChEBI ID

75170

mapping relation type

2 references

ZARAGOZIC ACIDS A (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1

1 reference

ZARAGOZIC ACIDS A (English)

20 November 2016

1 reference

1 reference

Guide to Pharmacology Ligand ID

3057

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3057

zaragozic acid A (English)

20 November 2016

1 reference

Global Substance Registration System

14 March 2018

2 references

UNII

1117HVX02L

zaragozic acid a (English)

20 November 2016

Natural Product Atlas ID

NPA005513

2 references

based on heuristic

inferred from InChIKey

Great Aragonese Encyclopedia ID

0 references

0 references

0 references

0 references

13177

0 references

Microsoft Academic ID

0 references

1 reference

3VJE (English)

19 October 2016

1 reference

3VJC (English)