cymarin (Q5199357)

(3S,5S,8S,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

inferred from InChI

1 reference

(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₀H₄₄O₉

1 reference

https://www.whocc.no/atc_ddd_index/?code=C01AC03

PubChem

canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(OC)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

0 references

isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O

0 references

defined daily dose

2.5 milligram

route of administration

oral administration

1 reference

reference URL

found in taxon

Maquira sclerophylla

1 reference

Pharmacological Properties and Identification of Cardiotonic Principles from the Indian Snuff,Maquira sclerophylla, Ducke

Adonis amurensis

1 reference

Inhibitory effect of Adonis amurensis components on tube-like formation of human umbilical venous cells

Adonis mongolica

1 reference

Coumarins of Adonis mongolica

Poacynum armenum

1 reference

Strophanthidin glycosides from the roots of Apocynum venetum var. basikurumon (studies on Apocynum. II).

Apocynum androsaemifolium

1 reference

Über Cymarin, den wirksamen Bestandteil aus Apocynum cannabinum

Strophanthus eminii

1 reference

107. The glucosides of Strophanthus Emini

Strophanthus hispidus

1 reference

Die Glykoside der Samen von Strophanthus CourmontiiSacl. Glykoside und Aglykone, 58. Mitteilung

Strophanthus kombe

2 references

Cardiac glycosides from Strophanthus kombe

k-Strophanthosid, das Hauptglucosid der Samen von Strophanthus kombé

Adonis tianschanica

1 reference

A chemical study of Adonis tianschanicus

Apocynum venetum

1 reference

Screening and analysis of metabolites in rat urine after oral administration of Apocynum venetum L. extracts using HPLC-TOF-MS

Apocynum cannabinum

2 references

Cardenolide Glycosides from the Roots of Apocynum cannabinum.

Screening and analysis of metabolites in rat urine after oral administration of Apocynum venetum L. extracts using HPLC-TOF-MS

subject has role

antiarrhythmic agent

1 reference

InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Cymarin

0 references

Identifiers

InChI

1 reference

PubChem

2 references

PubChem

ChEBI release 2020-09-01

CAS Registry Number

508-77-0

1 reference

https://commonchemistry.cas.org/detail?cas_rn=508-77-0

9 April 2021

ChemSpider ID

390429

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

441853

2 references

imported from Wikimedia project

Spanish Wikipedia

ChEBI ID

4037

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

ChEMBL ID

CHEMBL1651908

1 reference

imported from Wikimedia project

2 references

inferred from InChIKey

splash10-00yi-0012950000-e945bf5f95cf76a1a868

1 reference

0 references

splash10-004i-0000940000-a1bfc0b0965d9f2039c2

0 references

splash10-004i-0001960000-1a1a6bb1cc72216101d2

0 references

splash10-0udr-3749000000-e63ac55eabdaba238ebe

0 references

0 references

1 reference

ECHA Substance Infocard database

0 references

1 reference

ECHA Substance Infocard ID

27 December 2018

Cymarin (English)

CAS no.: 508-77-0 (English)

ECHA Substance Infocard ID

100.007.353

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Cymarin (English)

CAS no.: 508-77-0 (English)

0 references

Cymarine

1 reference

D04.210.500.155.580.130.750.250

Medical Subject Headings

14 March 2018

0 references

D09.408.180.810.250

0 references

DrugBank ID

DB13240

1 reference

UNII

UK3LS8435E

1 reference

inferred by common MeSH mappings on source and on Wikidata

0 references

1 reference

0 references

Microsoft Academic ID

0 references

1 reference