(Q2920456)

Discodermolide (English)

[(5S,6S,7S,8R,9S,13S,14S,15S,18S)-8,14,18-trihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate

8 October 2016

stereoisomer of

2 references

inferred from InChIKey

[(5S,6S,7S,8R,9S,13S,14S,15S,18S)-8,14,18-trihydroxy-19-[(2S,3R,4S,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate

inferred from InChI

1 reference

[(3Z,5S,6R,7R,8R,9S,11Z,13R,14S,15S,16Z,18S)-8,14,18-trihydroxy-19-[(2R,3S,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₃H₅₅NO₈

1 reference

Discodermolide (English)

20 November 2016

canonical SMILES

CC1C(OC(=O)C(C1O)C)CC(C=CC(C)C(C(C)C=C(C)CC(C)C(C(C)C(C(C)C=CC=C)OC(=O)N)O)O)O

1 reference

Discodermolide (English)

20 November 2016

isomeric SMILES

C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O

1 reference

Discodermolide (English)

20 November 2016

found in taxon

Discodermia dissoluta

2 references

Human liver microsomal metabolism of (+)-discodermolide

Discodermolide: a new bioactive polyhydroxylated lactone from the marine sponge Discodermia dissoluta

subject has role

tubulin modulators

1 reference

InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Discodermolide

0 references

Identifiers

InChI

1 reference

Discodermolide (English)

AADVCYNFEREWOS-OBRABYBLSA-N

20 November 2016

InChIKey

2 references

Discodermolide (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

127943-53-7

2 references

Global Substance Registration System

UNII

DHG59994DN

disermolide (English)

AADVCYNFEREWOS-OBRABYBLSA-N

20 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=127943-53-7

1 reference

(+)-discodermolide (English)

20 November 2016

1 reference

Discodermolide (English)

20 November 2016

ChEBI ID

80700

mapping relation type

1 reference

DISERMOLIDE (English)

20 November 2016

1 reference

DSSTOX compound identifier

DISERMOLIDE (English)

20 November 2016

1 reference

0 references

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

Global Substance Registration System

UNII

DHG59994DN

disermolide (English)

20 November 2016

0 references

1 reference

inferred by common MeSH mappings on source and on Wikidata

Discodermolide (English)

8 October 2016

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

UMLS 2023