cinobufagin (Q5121070)

Cinobufagin (English)

[(1R,2S,4R,5S,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate

8 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₆

1 reference

Cinobufagin (English)

20 November 2016

canonical SMILES

CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)C)C)C6=COC(=O)C=C6

1 reference

Cinobufagin (English)

20 November 2016

isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C)C)C6=COC(=O)C=C6

1 reference

Effects of methanol extract of Chansu on hypothalamic-pituitary-testis function in rats.

Cinobufagin (English)

20 November 2016

6 references

Isolation and characterization of cinobufagin 3-glutaroyl-L-arginine ester from Bufo bufo gargarizans Cantor.

Cytotoxic constituents from the skin of the toad Bufo bufo gargarizans

Occurrence of bufogenin conjugates in the skin of Korean toad.

Isolation and characterization of cinobufagin 3-glutaroyl-L-arginine ester from Bufo bufo gargarizans Cantor.

Quality evaluation of traditional Chinese drug toad venom from different origins through a simultaneous determination of bufogenins and indole alkaloids by HPLC.

Bufo

3 references

Studies on toad venom (2): Examination of the drying processing method

Simultaneous determination of bufadienolides in the traditional Chinese medicine preparation, liu-shen-wan, by liquid chromatography

Hematological Studies on Naturally Occurring Substances. VI. Effects of an Animal Crude Drug "Chan Su"(Bufonis Venenum)on Blood Coagulation, Platelet Aggregation, Fibrinolysis System and Cytotoxicity

Phrynoidis asper

1 reference

Studies on Steroids CCVIII. Bufadienolides from Bufo asper

Asiatic toad

1 reference

C23 steroids from the venom of Bufo bufo gargarizans

Identifiers

InChI

InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

1 reference

Cinobufagin (English)

20 November 2016

2 references

Cinobufagin (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

470-37-1

2 references

Global Substance Registration System

UNII

T9PSN4R8IR

https://commonchemistry.cas.org/detail?cas_rn=470-37-1

cinobufagin (English)

20 November 2016

7 April 2021

1 reference

Cinobufagin (English)

20 November 2016

2 references

Cinobufagin (English)

20 November 2016

ChEBI ID

80805

mapping relation type

2 references

CINOBUFAGIN (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

1 reference

CINOBUFAGIN (English)

20 November 2016

2 references

inferred from InChIKey

MSBNK-Univ_Toyama-TY000067

1 reference

MassBank accession ID

0 references

MSBNK-Univ_Toyama-TY000101

0 references

SPLASH

splash10-0udi-0000190000-558fae5b76a7ce5518a0

0 references

DSSTox substance ID

DTXSID701026953

1 reference

ECHA Substance Infocard database

0 references

1 reference

ECHA Substance Infocard ID

100.164.680

27 December 2018

ECHA Substance Infocard ID

Cinobufagin venom toad (English)

quotation

CAS no.: 470-37-1 (English)

100.164.680

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.680

27 December 2018

Cinobufagin venom toad (English)

quotation

CAS no.: 470-37-1 (English)

UNII

T9PSN4R8IR

2 references

Global Substance Registration System

UNII

T9PSN4R8IR

cinobufagin (English)

20 November 2016

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

Cinobufagin (English)

8 October 2016

1 reference